1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine

C16H26N2O — CID 117411111

IUPAC1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1c(CN(C)C)cccc1C1(N)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(2)12-13-8-7-9-14(15(13)19-3)16(17)10-5-4-6-11-16/h7-9H,4-6,10-12,17H2,1-3H3
InChIKeyLQMITCYWMKFOMF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine

1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine (PubChem CID 117411111) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
PubChem CID117411111
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1c(CN(C)C)cccc1C1(N)CCCCC1
InChIInChI=1S/C16H26N2O/c1-18(2)12-13-8-7-9-14(15(13)19-3)16(17)10-5-4-6-11-16/h7-9H,4-6,10-12,17H2,1-3H3
InChIKeyLQMITCYWMKFOMF-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117341162
1-[2-methoxy-3-(2-methylpyrrolidin-2-yl)phenyl]-N,N-dimethylmethanamine
CID 115004398
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
CID 82622115
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine (CID 117411111) is 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine is COc1c(CN(C)C)cccc1C1(N)CCCCC1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine?
The InChIKey is LQMITCYWMKFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)12-13-8-7-9-14(15(13)19-3)16(17)10-5-4-6-11-16/h7-9H,4-6,10-12,17H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine?
1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117411111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).