5-chloro-2-methyl-N-(2-phenylpropyl)aniline

C16H18ClN — CID 43103911

IUPAC5-chloro-2-methyl-N-(2-phenylpropyl)aniline
SMILESCc1ccc(Cl)cc1NCC(C)c1ccccc1
InChIInChI=1S/C16H18ClN/c1-12-8-9-15(17)10-16(12)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyFRQNEQZCEYDVRW-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.86
Rot. Bonds4

About 5-chloro-2-methyl-N-(2-phenylpropyl)aniline

5-chloro-2-methyl-N-(2-phenylpropyl)aniline (PubChem CID 43103911) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(2-phenylpropyl)aniline
PubChem CID43103911
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name5-chloro-2-methyl-N-(2-phenylpropyl)aniline
SMILESCc1ccc(Cl)cc1NCC(C)c1ccccc1
InChIInChI=1S/C16H18ClN/c1-12-8-9-15(17)10-16(12)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyFRQNEQZCEYDVRW-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
3-(5-chloro-2-methylanilino)-2-phenylpropanoic acid
CID 64566430
4-chloro-2-(2-phenylpropylamino)benzenecarbothioamide
CID 104591576
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
CID 43739518
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
CID 109020148
methyl 5-chloro-2-(2-phenylpropylamino)benzoate
CID 43678738
2,6-dimethyl-3-(2-phenylpropylamino)phenol
CID 43741638
3-(5-chloro-2-methylanilino)-2-methylpropanethioamide
CID 82085013
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(2-phenylpropyl)aniline?
The IUPAC name of 5-chloro-2-methyl-N-(2-phenylpropyl)aniline (CID 43103911) is 5-chloro-2-methyl-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-(2-phenylpropyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-N-(2-phenylpropyl)aniline is Cc1ccc(Cl)cc1NCC(C)c1ccccc1.
What is the InChIKey of 5-chloro-2-methyl-N-(2-phenylpropyl)aniline?
The InChIKey is FRQNEQZCEYDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-8-9-15(17)10-16(12)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-(2-phenylpropyl)aniline?
5-chloro-2-methyl-N-(2-phenylpropyl)aniline has a molecular weight of 259.78 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 43103911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).