4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline

C17H20ClN — CID 43104795

IUPAC4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(Cl)ccc1NC(C)CCc1ccccc1
InChIInChI=1S/C17H20ClN/c1-13-12-16(18)10-11-17(13)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3
InChIKeyUPUJTKPACFFQIL-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.08
Rot. Bonds5

About 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline

4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 43104795) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID43104795
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(Cl)ccc1NC(C)CCc1ccccc1
InChIInChI=1S/C17H20ClN/c1-13-12-16(18)10-11-17(13)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3
InChIKeyUPUJTKPACFFQIL-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
1-(2,4-dichlorophenyl)-3-[(2R)-4-phenylbutan-2-yl]thiourea
CID 2454898
4-[3-(2-bromo-4-chloroanilino)butyl]phenol
CID 81263195
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
CID 63453526
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
CID 114028417
6-chloro-N-(4-phenylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79526366
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline (CID 43104795) is 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline is Cc1cc(Cl)ccc1NC(C)CCc1ccccc1.
What is the InChIKey of 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is UPUJTKPACFFQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-12-16(18)10-11-17(13)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 273.81 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 43104795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).