[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine

C16H22ClNO — CID 117448998

IUPAC[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2cccc(OCC3CC3)c2Cl)CCCC1
InChIInChI=1S/C16H22ClNO/c17-15-13(16(11-18)8-1-2-9-16)4-3-5-14(15)19-10-12-6-7-12/h3-5,12H,1-2,6-11,18H2
InChIKeyQPVMHAPESHSTCA-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.90
Rot. Bonds5

About [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine

[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine (PubChem CID 117448998) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
PubChem CID117448998
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2cccc(OCC3CC3)c2Cl)CCCC1
InChIInChI=1S/C16H22ClNO/c17-15-13(16(11-18)8-1-2-9-16)4-3-5-14(15)19-10-12-6-7-12/h3-5,12H,1-2,6-11,18H2
InChIKeyQPVMHAPESHSTCA-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
2-[2-chloro-3-(cyclopropylmethoxy)phenyl]acetonitrile
CID 84788345
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
CID 117496323

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine (CID 117448998) is [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine is NCC1(c2cccc(OCC3CC3)c2Cl)CCCC1.
What is the InChIKey of [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine?
The InChIKey is QPVMHAPESHSTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-13(16(11-18)8-1-2-9-16)4-3-5-14(15)19-10-12-6-7-12/h3-5,12H,1-2,6-11,18H2.
What are the key properties of [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine?
[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine has a molecular weight of 279.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117448998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).