1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine

C18H22ClNO — CID 63416575

IUPAC1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
SMILESCCCNC(COc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-2-12-20-16(13-15-8-6-7-11-18(15)19)14-21-17-9-4-3-5-10-17/h3-11,16,20H,2,12-14H2,1H3
InChIKeyRLJVQZVYYIASFY-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.33
Rot. Bonds8

About 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine

1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine (PubChem CID 63416575) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
PubChem CID63416575
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
SMILESCCCNC(COc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-2-12-20-16(13-15-8-6-7-11-18(15)19)14-21-17-9-4-3-5-10-17/h3-11,16,20H,2,12-14H2,1H3
InChIKeyRLJVQZVYYIASFY-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 105096561
1-phenoxy-N-propyldecan-2-amine
CID 63416663
1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine (CID 63416575) is 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine is CCCNC(COc1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine?
The InChIKey is RLJVQZVYYIASFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-2-12-20-16(13-15-8-6-7-11-18(15)19)14-21-17-9-4-3-5-10-17/h3-11,16,20H,2,12-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine?
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine is sourced from PubChem (CID 63416575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).