1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine

C16H26N2O — CID 28759377

IUPAC1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCOc1ccccc1CN(C)C1(CN)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(16(13-17)10-6-3-7-11-16)12-14-8-4-5-9-15(14)19-2/h4-5,8-9H,3,6-7,10-13,17H2,1-2H3
InChIKeyXQGPXBUFKWWBNP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds5

About 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 28759377) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID28759377
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCOc1ccccc1CN(C)C1(CN)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(16(13-17)10-6-3-7-11-16)12-14-8-4-5-9-15(14)19-2/h4-5,8-9H,3,6-7,10-13,17H2,1-2H3
InChIKeyXQGPXBUFKWWBNP-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
CID 81468498
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylthian-3-amine
CID 65484696
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine (CID 28759377) is 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine is COc1ccccc1CN(C)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is XQGPXBUFKWWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(16(13-17)10-6-3-7-11-16)12-14-8-4-5-9-15(14)19-2/h4-5,8-9H,3,6-7,10-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 28759377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).