4-chloro-N-(3-methylpentyl)aniline

C12H18ClN — CID 173121721

IUPAC4-chloro-N-(3-methylpentyl)aniline
SMILESCCC(C)CCNc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-3-10(2)8-9-14-12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyUUPSUDQOWDLSDF-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.19
Rot. Bonds5

About 4-chloro-N-(3-methylpentyl)aniline

4-chloro-N-(3-methylpentyl)aniline (PubChem CID 173121721) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 4-chloro-N-(3-methylpentyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(3-methylpentyl)aniline
PubChem CID173121721
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name4-chloro-N-(3-methylpentyl)aniline
SMILESCCC(C)CCNc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-3-10(2)8-9-14-12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyUUPSUDQOWDLSDF-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline
CID 103285783
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 55088831
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383
4-chloro-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]aniline
CID 46193733
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54805498

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylpentyl)aniline?
The IUPAC name of 4-chloro-N-(3-methylpentyl)aniline (CID 173121721) is 4-chloro-N-(3-methylpentyl)aniline.
What is the SMILES notation for 4-chloro-N-(3-methylpentyl)aniline?
The canonical SMILES for 4-chloro-N-(3-methylpentyl)aniline is CCC(C)CCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-methylpentyl)aniline?
The InChIKey is UUPSUDQOWDLSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-3-10(2)8-9-14-12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 4-chloro-N-(3-methylpentyl)aniline?
4-chloro-N-(3-methylpentyl)aniline has a molecular weight of 211.74 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylpentyl)aniline is sourced from PubChem (CID 173121721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).