(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine

C14H18ClNO — CID 117382839

IUPAC(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO/c15-13-10-11(4-3-9-16)7-8-14(13)17-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9,16H2/b4-3+
InChIKeyUDNHPYHPEHSQRH-ONEGZZNKSA-N
MW251.76 g/mol
LogP3.63
Rot. Bonds4

About (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine

(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine (PubChem CID 117382839) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
PubChem CID117382839
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO/c15-13-10-11(4-3-9-16)7-8-14(13)17-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9,16H2/b4-3+
InChIKeyUDNHPYHPEHSQRH-ONEGZZNKSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine
CID 117291812
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
CID 82284249
(E)-3-[3-methoxy-4-(thian-3-yloxy)phenyl]prop-2-en-1-amine
CID 117448497
(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
CID 117281499
(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117342269
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117423212
3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde
CID 81146297
3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107
(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
CID 117295806

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine (CID 117382839) is (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine is NC/C=C/c1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine?
The InChIKey is UDNHPYHPEHSQRH-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-13-10-11(4-3-9-16)7-8-14(13)17-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9,16H2/b4-3+.
What are the key properties of (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine?
(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117382839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).