1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C16H26N2O — CID 79066502

IUPAC1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1C(N)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(2)16(11-7-4-8-12-16)15(17)13-9-5-6-10-14(13)19-3/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3
InChIKeyQFCMRNMPNNKIKQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds4

About 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066502) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066502
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1C(N)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(2)16(11-7-4-8-12-16)15(17)13-9-5-6-10-14(13)19-3/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3
InChIKeyQFCMRNMPNNKIKQ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059165
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061084
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066502) is 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is COc1ccccc1C(N)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is QFCMRNMPNNKIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)16(11-7-4-8-12-16)15(17)13-9-5-6-10-14(13)19-3/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3.
What are the key properties of 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).