1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine

C17H20ClNO — CID 105101373

IUPAC1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
SMILESCCc1ccc(CC(N)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-2-13-3-5-14(6-4-13)11-16(19)12-20-17-9-7-15(18)8-10-17/h3-10,16H,2,11-12,19H2,1H3
InChIKeyBMUYFGHLBMCYSJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine

1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine (PubChem CID 105101373) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
PubChem CID105101373
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
SMILESCCc1ccc(CC(N)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-2-13-3-5-14(6-4-13)11-16(19)12-20-17-9-7-15(18)8-10-17/h3-10,16H,2,11-12,19H2,1H3
InChIKeyBMUYFGHLBMCYSJ-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
CID 105096248
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
CID 105101467
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
1-(4-chlorophenyl)pentan-2-amine
CID 60820343

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine (CID 105101373) is 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine is CCc1ccc(CC(N)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine?
The InChIKey is BMUYFGHLBMCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-13-3-5-14(6-4-13)11-16(19)12-20-17-9-7-15(18)8-10-17/h3-10,16H,2,11-12,19H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine?
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine is sourced from PubChem (CID 105101373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).