[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine

C14H20ClNO2 — CID 61344623

IUPAC[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C14H20ClNO2/c1-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeySZBBDLRACRTSIX-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.38
Rot. Bonds5

About [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine

[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine (PubChem CID 61344623) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
PubChem CID61344623
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C14H20ClNO2/c1-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeySZBBDLRACRTSIX-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
CID 117392726
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208476

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine (CID 61344623) is [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Cl)c1OCC1CCCC1.
What is the InChIKey of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine?
The InChIKey is SZBBDLRACRTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9,16H2,1H3.
What are the key properties of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine?
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 61344623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).