4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine

C17H20ClN — CID 82540396

IUPAC4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClN/c1-13(19-2)9-10-14-5-3-6-15(11-14)16-7-4-8-17(18)12-16/h3-8,11-13,19H,9-10H2,1-2H3
InChIKeyYQJNBSTVLYGSJH-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.55
Rot. Bonds5

About 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine

4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine (PubChem CID 82540396) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
PubChem CID82540396
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClN/c1-13(19-2)9-10-14-5-3-6-15(11-14)16-7-4-8-17(18)12-16/h3-8,11-13,19H,9-10H2,1-2H3
InChIKeyYQJNBSTVLYGSJH-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
CID 82540176
4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
CID 82184802
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
1-chloro-3-(7-methyloctyl)benzene
CID 168947295
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine (CID 82540396) is 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine is CNC(C)CCc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine?
The InChIKey is YQJNBSTVLYGSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13(19-2)9-10-14-5-3-6-15(11-14)16-7-4-8-17(18)12-16/h3-8,11-13,19H,9-10H2,1-2H3.
What are the key properties of 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine?
4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine is sourced from PubChem (CID 82540396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).