4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine

C16H24ClNO2 — CID 117479607

IUPAC4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
SMILESCOc1cc(CCCCN)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C16H24ClNO2/c1-19-15-10-12(6-4-5-9-18)14(17)11-16(15)20-13-7-2-3-8-13/h10-11,13H,2-9,18H2,1H3
InChIKeyIXWRJCLBNSGUQZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.95
Rot. Bonds7

About 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine

4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine (PubChem CID 117479607) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
PubChem CID117479607
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
SMILESCOc1cc(CCCCN)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C16H24ClNO2/c1-19-15-10-12(6-4-5-9-18)14(17)11-16(15)20-13-7-2-3-8-13/h10-11,13H,2-9,18H2,1H3
InChIKeyIXWRJCLBNSGUQZ-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117456463
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7454850
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
CID 117392715
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine (CID 117479607) is 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine is COc1cc(CCCCN)c(Cl)cc1OC1CCCC1.
What is the InChIKey of 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine?
The InChIKey is IXWRJCLBNSGUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-19-15-10-12(6-4-5-9-18)14(17)11-16(15)20-13-7-2-3-8-13/h10-11,13H,2-9,18H2,1H3.
What are the key properties of 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine?
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 117479607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).