1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine

C16H18ClNO — CID 82550716

IUPAC1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-2-15(18)13-8-9-16(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10,15H,2,11,18H2,1H3
InChIKeyPSRUTMOWZWUCFR-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.33
Rot. Bonds5

About 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine

1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine (PubChem CID 82550716) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
PubChem CID82550716
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-2-15(18)13-8-9-16(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10,15H,2,11,18H2,1H3
InChIKeyPSRUTMOWZWUCFR-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
4-(1-aminopropyl)-2-phenylmethoxybenzoic acid
CID 123417616
1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
methyl (2S,3S)-2-amino-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate
CID 11256154
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
CID 23191762
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171230019
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171210412

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine?
The IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine (CID 82550716) is 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine is CCC(N)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine?
The InChIKey is PSRUTMOWZWUCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-15(18)13-8-9-16(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10,15H,2,11,18H2,1H3.
What are the key properties of 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine?
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine is sourced from PubChem (CID 82550716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).