N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline

C17H27ClN2 — CID 65384868

IUPACN-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
SMILESCC(C)(C)C1CCC(CN)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-16(2,3)13-7-9-17(12-19,10-8-13)20-15-6-4-5-14(18)11-15/h4-6,11,13,20H,7-10,12,19H2,1-3H3
InChIKeyOPKUUMYHTIZSKN-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.69
Rot. Bonds3

About N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline

N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline (PubChem CID 65384868) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
PubChem CID65384868
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
SMILESCC(C)(C)C1CCC(CN)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-16(2,3)13-7-9-17(12-19,10-8-13)20-15-6-4-5-14(18)11-15/h4-6,11,13,20H,7-10,12,19H2,1-3H3
InChIKeyOPKUUMYHTIZSKN-UHFFFAOYSA-N
XLogP4.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-4-bromoaniline
CID 65385986
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
CID 65382978
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
CID 65384023
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
CID 65384870
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-3-chloroaniline
CID 107429079
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline
CID 65384687
4-(aminomethyl)-N-(3-chlorophenyl)-2-propan-2-yloxan-4-amine
CID 65384648

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline?
The IUPAC name of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline (CID 65384868) is N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline?
The canonical SMILES for N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline is CC(C)(C)C1CCC(CN)(Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline?
The InChIKey is OPKUUMYHTIZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-16(2,3)13-7-9-17(12-19,10-8-13)20-15-6-4-5-14(18)11-15/h4-6,11,13,20H,7-10,12,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline?
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline has a molecular weight of 294.87 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline is sourced from PubChem (CID 65384868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).