4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine

C16H26N2O — CID 116952347

IUPAC4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(NC)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-17-14-8-4-12(5-9-14)16(18-2)13-6-10-15(19-3)11-7-13/h6-7,10-12,14,16-18H,4-5,8-9H2,1-3H3
InChIKeyFZSSSFIPCKHFRQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.73
Rot. Bonds5

About 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine

4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116952347) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
PubChem CID116952347
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(NC)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-17-14-8-4-12(5-9-14)16(18-2)13-6-10-15(19-3)11-7-13/h6-7,10-12,14,16-18H,4-5,8-9H2,1-3H3
InChIKeyFZSSSFIPCKHFRQ-UHFFFAOYSA-N
XLogP2.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine
CID 116952366
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine (CID 116952347) is 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(NC)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is FZSSSFIPCKHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-14-8-4-12(5-9-14)16(18-2)13-6-10-15(19-3)11-7-13/h6-7,10-12,14,16-18H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine?
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116952347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).