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

C15H16ClNO — CID 117242977

IUPAC2-(3-chlorophenyl)-3-phenoxypropan-1-amine
SMILESNCC(COc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c16-14-6-4-5-12(9-14)13(10-17)11-18-15-7-2-1-3-8-15/h1-9,13H,10-11,17H2
InChIKeyTZLGBODBARLTMI-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.46
Rot. Bonds5

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

2-(3-chlorophenyl)-3-phenoxypropan-1-amine (PubChem CID 117242977) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-phenoxypropan-1-amine
PubChem CID117242977
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(3-chlorophenyl)-3-phenoxypropan-1-amine
SMILESNCC(COc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c16-14-6-4-5-12(9-14)13(10-17)11-18-15-7-2-1-3-8-15/h1-9,13H,10-11,17H2
InChIKeyTZLGBODBARLTMI-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
CID 117243107
2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
CID 117242992
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-phenoxypropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-phenoxypropan-1-amine (CID 117242977) is 2-(3-chlorophenyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-phenoxypropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-phenoxypropan-1-amine is NCC(COc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-phenoxypropan-1-amine?
The InChIKey is TZLGBODBARLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-6-4-5-12(9-14)13(10-17)11-18-15-7-2-1-3-8-15/h1-9,13H,10-11,17H2.
What are the key properties of 2-(3-chlorophenyl)-3-phenoxypropan-1-amine?
2-(3-chlorophenyl)-3-phenoxypropan-1-amine has a molecular weight of 261.75 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 117242977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).