N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline

C18H22ClN — CID 10989831

IUPACN-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
SMILESCCCC(Cc1ccccc1Cl)Nc1ccc(C)cc1
InChIInChI=1S/C18H22ClN/c1-3-6-17(13-15-7-4-5-8-18(15)19)20-16-11-9-14(2)10-12-16/h4-5,7-12,17,20H,3,6,13H2,1-2H3
InChIKeyHCJCQHKYMXXSHK-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.47
Rot. Bonds6

About N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline

N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline (PubChem CID 10989831) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
PubChem CID10989831
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
SMILESCCCC(Cc1ccccc1Cl)Nc1ccc(C)cc1
InChIInChI=1S/C18H22ClN/c1-3-6-17(13-15-7-4-5-8-18(15)19)20-16-11-9-14(2)10-12-16/h4-5,7-12,17,20H,3,6,13H2,1-2H3
InChIKeyHCJCQHKYMXXSHK-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
CID 134880054
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
4-methyl-N-octan-4-ylaniline
CID 12779858
N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline
CID 11826948
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
2-chloro-N-heptan-4-ylaniline
CID 29274819
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline?
The IUPAC name of N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline (CID 10989831) is N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline?
The canonical SMILES for N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline is CCCC(Cc1ccccc1Cl)Nc1ccc(C)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline?
The InChIKey is HCJCQHKYMXXSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-6-17(13-15-7-4-5-8-18(15)19)20-16-11-9-14(2)10-12-16/h4-5,7-12,17,20H,3,6,13H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline?
N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline has a molecular weight of 287.83 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline is sourced from PubChem (CID 10989831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).