N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine

C17H20ClN — CID 63424882

IUPACN-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-3-11-19-13(2)14-7-6-8-15(12-14)16-9-4-5-10-17(16)18/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyKKEKDKZZEGTQER-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.07
Rot. Bonds5

About N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine

N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 63424882) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID63424882
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-3-11-19-13(2)14-7-6-8-15(12-14)16-9-4-5-10-17(16)18/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyKKEKDKZZEGTQER-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504675
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021648
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
3-[3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542690
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63428205
N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
CID 79996723

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine (CID 63424882) is N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2ccccc2Cl)c1.
What is the InChIKey of N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is KKEKDKZZEGTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-11-19-13(2)14-7-6-8-15(12-14)16-9-4-5-10-17(16)18/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63424882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).