(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine

C13H18ClNO — CID 78937707

IUPAC(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
SMILESC[C@H](N)c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m0/s1
InChIKeyOVQBZFJLENXYBX-VIFPVBQESA-N
MW239.75 g/mol
LogP3.68
Rot. Bonds3

About (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine

(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine (PubChem CID 78937707) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
PubChem CID78937707
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
SMILESC[C@H](N)c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m0/s1
InChIKeyOVQBZFJLENXYBX-VIFPVBQESA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695
(1S)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937737
(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 63370510
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
(1S)-1-[3-chloro-4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 113389808
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine (CID 78937707) is (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine is C[C@H](N)c1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine?
The InChIKey is OVQBZFJLENXYBX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine?
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine is sourced from PubChem (CID 78937707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).