1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine

C16H18ClNO — CID 62791102

IUPAC1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H18ClNO/c1-3-16(18,12-7-5-4-6-8-12)14-11-13(17)9-10-15(14)19-2/h4-11H,3,18H2,1-2H3
InChIKeyXJGRDDKMAFFPTE-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.96
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine

1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine (PubChem CID 62791102) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
PubChem CID62791102
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H18ClNO/c1-3-16(18,12-7-5-4-6-8-12)14-11-13(17)9-10-15(14)19-2/h4-11H,3,18H2,1-2H3
InChIKeyXJGRDDKMAFFPTE-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(5-chloro-2-methoxyphenyl)propane-2-thiol
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2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine (CID 62791102) is 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine?
The InChIKey is XJGRDDKMAFFPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-16(18,12-7-5-4-6-8-12)14-11-13(17)9-10-15(14)19-2/h4-11H,3,18H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine?
1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 62791102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).