1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine

C17H27ClN2O — CID 62007927

IUPAC1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCOc1ccc(Cl)cc1CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C17H27ClN2O/c1-20(17(13-19)9-5-3-4-6-10-17)12-14-11-15(18)7-8-16(14)21-2/h7-8,11H,3-6,9-10,12-13,19H2,1-2H3
InChIKeySBUGDDHRDDGJHT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.83
Rot. Bonds5

About 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine

1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 62007927) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
PubChem CID62007927
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCOc1ccc(Cl)cc1CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C17H27ClN2O/c1-20(17(13-19)9-5-3-4-6-10-17)12-14-11-15(18)7-8-16(14)21-2/h7-8,11H,3-6,9-10,12-13,19H2,1-2H3
InChIKeySBUGDDHRDDGJHT-UHFFFAOYSA-N
XLogP3.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79058125
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-1-ium
CID 3949230
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine (CID 62007927) is 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine is COc1ccc(Cl)cc1CN(C)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is SBUGDDHRDDGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-20(17(13-19)9-5-3-4-6-10-17)12-14-11-15(18)7-8-16(14)21-2/h7-8,11H,3-6,9-10,12-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62007927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).