1-(3-chlorophenyl)-3-phenoxypropan-2-amine

C15H16ClNO — CID 55103537

IUPAC1-(3-chlorophenyl)-3-phenoxypropan-2-amine
SMILESNC(COc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9,14H,10-11,17H2
InChIKeyBTULYUFKVXCYMR-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.29
Rot. Bonds5

About 1-(3-chlorophenyl)-3-phenoxypropan-2-amine

1-(3-chlorophenyl)-3-phenoxypropan-2-amine (PubChem CID 55103537) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-phenoxypropan-2-amine
PubChem CID55103537
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(3-chlorophenyl)-3-phenoxypropan-2-amine
SMILESNC(COc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9,14H,10-11,17H2
InChIKeyBTULYUFKVXCYMR-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
CID 14937130
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
3-(2-amino-3-phenylpropoxy)benzonitrile
CID 131879625
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenyl)-4-phenylsulfanylbutan-2-amine
CID 79223389
3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-phenoxypropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-phenoxypropan-2-amine (CID 55103537) is 1-(3-chlorophenyl)-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-phenoxypropan-2-amine is NC(COc1ccccc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-phenoxypropan-2-amine?
The InChIKey is BTULYUFKVXCYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9,14H,10-11,17H2.
What are the key properties of 1-(3-chlorophenyl)-3-phenoxypropan-2-amine?
1-(3-chlorophenyl)-3-phenoxypropan-2-amine has a molecular weight of 261.75 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-phenoxypropan-2-amine is sourced from PubChem (CID 55103537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).