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

C16H24ClNO — CID 65029969

IUPAC1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2(CCl)CCC(C)CC2)cc1
InChIInChI=1S/C16H24ClNO/c1-13-7-9-16(12-17,10-8-13)18-11-14-3-5-15(19-2)6-4-14/h3-6,13,18H,7-12H2,1-2H3
InChIKeyRCWTVIOZMWNBHJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.97
Rot. Bonds5

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

1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 65029969) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID65029969
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2(CCl)CCC(C)CC2)cc1
InChIInChI=1S/C16H24ClNO/c1-13-7-9-16(12-17,10-8-13)18-11-14-3-5-15(19-2)6-4-14/h3-6,13,18H,7-12H2,1-2H3
InChIKeyRCWTVIOZMWNBHJ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 147734496
1-(chloromethyl)-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029964
N-[(4-bromophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030016
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
CID 65030424
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 65025042
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
CID 104567212
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 114293987
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (CID 65029969) is 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is COc1ccc(CNC2(CCl)CCC(C)CC2)cc1.
What is the InChIKey of 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is RCWTVIOZMWNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-13-7-9-16(12-17,10-8-13)18-11-14-3-5-15(19-2)6-4-14/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65029969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).