N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride

C23H30Cl2N2O — CID 71184328

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCC(=O)N(CCc1ccccc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C23H29ClN2O.ClH/c1-18(27)26(15-12-19-6-3-2-4-7-19)22-10-13-23(17-25,14-11-22)20-8-5-9-21(24)16-20;/h2-9,16,22H,10-15,17,25H2,1H3;1H
InChIKeyVDWJMBPPORBFSM-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.99
Rot. Bonds6

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 71184328) has the molecular formula C23H30Cl2N2O and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID71184328
Molecular FormulaC23H30Cl2N2O
Molecular Weight421.41 g/mol
Exact Mass420.17
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCC(=O)N(CCc1ccccc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C23H29ClN2O.ClH/c1-18(27)26(15-12-19-6-3-2-4-7-19)22-10-13-23(17-25,14-11-22)20-8-5-9-21(24)16-20;/h2-9,16,22H,10-15,17,25H2,1H3;1H
InChIKeyVDWJMBPPORBFSM-UHFFFAOYSA-N
XLogP4.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(3-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 71184598
tert-butyl N-[[4-[acetyl(2-phenylethyl)amino]-1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 69089601
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 71184573
bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-benzylacetamide);N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-benzylmethanesulfonamide;bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)acetamide)
CID 157096669
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(3-methylsulfinylphenyl)ethyl]pyridine-3-carboxamide
CID 143705788
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride
CID 71184425
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride
CID 71184537
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-oxobutyl)pyridine-3-carboxamide
CID 158168533
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 70297802
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
CID 71184788

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride (CID 71184328) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride is CC(=O)N(CCc1ccccc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is VDWJMBPPORBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O.ClH/c1-18(27)26(15-12-19-6-3-2-4-7-19)22-10-13-23(17-25,14-11-22)20-8-5-9-21(24)16-20;/h2-9,16,22H,10-15,17,25H2,1H3;1H.
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 421.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 71184328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).