[1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine

C14H20ClNO — CID 71184607

IUPAC[1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-17-13-5-7-14(10-16,8-6-13)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,16H2,1H3
InChIKeyBTMCMHMWGFUOCZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.13
Rot. Bonds3

About [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine

[1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine (PubChem CID 71184607) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine
PubChem CID71184607
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-17-13-5-7-14(10-16,8-6-13)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,16H2,1H3
InChIKeyBTMCMHMWGFUOCZ-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
2-[4-[(2-Chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
CID 4532541
(4-Methoxy-1-phenylcyclohexyl)methanamine
CID 69089363
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
4-(3,4-Dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
CID 58954896
2-(3-Chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673871
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol
CID 68673922
1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N-methylmethanamine
CID 68674021
1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine
CID 68674977
[1-(3,4-Dichlorophenyl)-4-methoxycyclohexyl]methanamine
CID 68675540
1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine
CID 122473355
[4-(3-Chlorophenyl)oxan-4-yl]methanamine
CID 24273961

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine (CID 71184607) is [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine is COC1CCC(CN)(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine?
The InChIKey is BTMCMHMWGFUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-13-5-7-14(10-16,8-6-13)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,16H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine?
[1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-4-methoxycyclohexyl]methanamine is sourced from PubChem (CID 71184607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).