[1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine

C22H26ClNO — CID 123238731

IUPAC[1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CCC(OCC=Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClNO/c23-20-10-4-9-19(16-20)22(17-24)13-11-21(12-14-22)25-15-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17,24H2
InChIKeyMUTMPPRMUPEQGW-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.21
Rot. Bonds6

About [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine

[1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine (PubChem CID 123238731) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine
PubChem CID123238731
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name[1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CCC(OCC=Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClNO/c23-20-10-4-9-19(16-20)22(17-24)13-11-21(12-14-22)25-15-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17,24H2
InChIKeyMUTMPPRMUPEQGW-UHFFFAOYSA-N
XLogP5.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 71184328
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol
CID 115043423
[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
CID 70298951
(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride
CID 174600223
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-phenylpyridazin-3-one;hydrochloride
CID 71184621
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride
CID 174600043
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine (CID 123238731) is [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine is NCC1(c2cccc(Cl)c2)CCC(OCC=Cc2ccccc2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine?
The InChIKey is MUTMPPRMUPEQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO/c23-20-10-4-9-19(16-20)22(17-24)13-11-21(12-14-22)25-15-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17,24H2.
What are the key properties of [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine?
[1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine has a molecular weight of 355.91 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine is sourced from PubChem (CID 123238731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).