[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine

C18H26ClNO — CID 117492823

IUPAC[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cc(Cl)cc(OCC3CCC3)c2)CCCCC1
InChIInChI=1S/C18H26ClNO/c19-16-9-15(18(13-20)7-2-1-3-8-18)10-17(11-16)21-12-14-5-4-6-14/h9-11,14H,1-8,12-13,20H2
InChIKeyLRIYRGKXWNVHJT-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.68
Rot. Bonds5

About [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine

[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine (PubChem CID 117492823) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
PubChem CID117492823
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cc(Cl)cc(OCC3CCC3)c2)CCCCC1
InChIInChI=1S/C18H26ClNO/c19-16-9-15(18(13-20)7-2-1-3-8-18)10-17(11-16)21-12-14-5-4-6-14/h9-11,14H,1-8,12-13,20H2
InChIKeyLRIYRGKXWNVHJT-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
CID 117444778
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
CID 117382831
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine (CID 117492823) is [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine is NCC1(c2cc(Cl)cc(OCC3CCC3)c2)CCCCC1.
What is the InChIKey of [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine?
The InChIKey is LRIYRGKXWNVHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c19-16-9-15(18(13-20)7-2-1-3-8-18)10-17(11-16)21-12-14-5-4-6-14/h9-11,14H,1-8,12-13,20H2.
What are the key properties of [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine?
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine has a molecular weight of 307.86 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117492823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).