3-chloro-N-(4-methylpentan-2-yl)aniline

C12H18ClN — CID 43111106

IUPAC3-chloro-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1cccc(Cl)c1
InChIInChI=1S/C12H18ClN/c1-9(2)7-10(3)14-12-6-4-5-11(13)8-12/h4-6,8-10,14H,7H2,1-3H3
InChIKeyMYEFEABABWEIEI-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.19
Rot. Bonds4

About 3-chloro-N-(4-methylpentan-2-yl)aniline

3-chloro-N-(4-methylpentan-2-yl)aniline (PubChem CID 43111106) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 3-chloro-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-N-(4-methylpentan-2-yl)aniline
PubChem CID43111106
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name3-chloro-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1cccc(Cl)c1
InChIInChI=1S/C12H18ClN/c1-9(2)7-10(3)14-12-6-4-5-11(13)8-12/h4-6,8-10,14H,7H2,1-3H3
InChIKeyMYEFEABABWEIEI-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

3-N-(3-chlorophenyl)butane-1,3-diamine
CID 117027031
4-(3-chloroanilino)pentan-1-ol
CID 115975852
3-chloro-4-fluoro-N-(4-methylpentan-2-yl)aniline
CID 43119238
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
2-chloro-1-N,1-N-dimethyl-4-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 63450957
N,N-dimethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 43725466
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
CID 114284812
3-[[(2S)-4-methylpentan-2-yl]amino]benzenecarboximidamide
CID 70078867
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
N-[1-(4-chlorophenyl)propan-2-yl]-3-methylaniline
CID 114081193

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 3-chloro-N-(4-methylpentan-2-yl)aniline (CID 43111106) is 3-chloro-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-chloro-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-chloro-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)Nc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-methylpentan-2-yl)aniline?
The InChIKey is MYEFEABABWEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(2)7-10(3)14-12-6-4-5-11(13)8-12/h4-6,8-10,14H,7H2,1-3H3.
What are the key properties of 3-chloro-N-(4-methylpentan-2-yl)aniline?
3-chloro-N-(4-methylpentan-2-yl)aniline has a molecular weight of 211.74 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43111106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).