[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine

C17H27NO — CID 117408640

IUPAC[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
SMILESCOC(C)Cc1ccc(C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(19-2)12-15-6-8-16(9-7-15)17(13-18)10-4-3-5-11-17/h6-9,14H,3-5,10-13,18H2,1-2H3
InChIKeyFMZULXOOWXPQPA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.42
Rot. Bonds5

About [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine

[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine (PubChem CID 117408640) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
PubChem CID117408640
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
SMILESCOC(C)Cc1ccc(C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(19-2)12-15-6-8-16(9-7-15)17(13-18)10-4-3-5-11-17/h6-9,14H,3-5,10-13,18H2,1-2H3
InChIKeyFMZULXOOWXPQPA-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117371859
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
CID 117351233
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
CID 117113157
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine
CID 117377033
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine (CID 117408640) is [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine is COC(C)Cc1ccc(C2(CN)CCCCC2)cc1.
What is the InChIKey of [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine?
The InChIKey is FMZULXOOWXPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(19-2)12-15-6-8-16(9-7-15)17(13-18)10-4-3-5-11-17/h6-9,14H,3-5,10-13,18H2,1-2H3.
What are the key properties of [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine?
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117408640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).