1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine

C15H24N2O — CID 61420272

IUPAC1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCOc1cccc(CN(C)C2(CN)CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-17(15(12-16)8-3-4-9-15)11-13-6-5-7-14(10-13)18-2/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyLGBASSSRIURZKL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds5

About 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine

1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 61420272) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID61420272
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCOc1cccc(CN(C)C2(CN)CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-17(15(12-16)8-3-4-9-15)11-13-6-5-7-14(10-13)18-2/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyLGBASSSRIURZKL-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
4-(aminomethyl)-N,1-dimethyl-N-[(3-methylphenyl)methyl]azepan-4-amine
CID 65075352
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine (CID 61420272) is 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine is COc1cccc(CN(C)C2(CN)CCCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is LGBASSSRIURZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(15(12-16)8-3-4-9-15)11-13-6-5-7-14(10-13)18-2/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine?
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 61420272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).