2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine

C22H30N2O — CID 113242171

IUPAC2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
SMILESCN(Cc1ccc(OCc2ccccc2)cc1)C1CCCCC1CN
InChIInChI=1S/C22H30N2O/c1-24(22-10-6-5-9-20(22)15-23)16-18-11-13-21(14-12-18)25-17-19-7-3-2-4-8-19/h2-4,7-8,11-14,20,22H,5-6,9-10,15-17,23H2,1H3
InChIKeyVIVPWNTZHCMRNM-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.21
Rot. Bonds7

About 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine

2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 113242171) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID113242171
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
SMILESCN(Cc1ccc(OCc2ccccc2)cc1)C1CCCCC1CN
InChIInChI=1S/C22H30N2O/c1-24(22-10-6-5-9-20(22)15-23)16-18-11-13-21(14-12-18)25-17-19-7-3-2-4-8-19/h2-4,7-8,11-14,20,22H,5-6,9-10,15-17,23H2,1H3
InChIKeyVIVPWNTZHCMRNM-UHFFFAOYSA-N
XLogP4.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
2-(aminomethyl)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
CID 104822694
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
2-(aminomethyl)-N-[(4-bromo-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 66478999
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
CID 80996130
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 67573261
N-methyl-N-[7-(4-phenylmethoxyphenoxy)heptyl]cyclohexanamine
CID 54113612
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine (CID 113242171) is 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine is CN(Cc1ccc(OCc2ccccc2)cc1)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is VIVPWNTZHCMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-24(22-10-6-5-9-20(22)15-23)16-18-11-13-21(14-12-18)25-17-19-7-3-2-4-8-19/h2-4,7-8,11-14,20,22H,5-6,9-10,15-17,23H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 338.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 113242171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).