N-(2-chloroprop-2-enyl)-3-methylaniline

C10H12ClN — CID 60679551

IUPACN-(2-chloroprop-2-enyl)-3-methylaniline
SMILESC=C(Cl)CNc1cccc(C)c1
InChIInChI=1S/C10H12ClN/c1-8-4-3-5-10(6-8)12-7-9(2)11/h3-6,12H,2,7H2,1H3
InChIKeyUHBNHBZLQAUWKS-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.16
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-3-methylaniline

N-(2-chloroprop-2-enyl)-3-methylaniline (PubChem CID 60679551) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-methylaniline.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-methylaniline
PubChem CID60679551
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC NameN-(2-chloroprop-2-enyl)-3-methylaniline
SMILESC=C(Cl)CNc1cccc(C)c1
InChIInChI=1S/C10H12ClN/c1-8-4-3-5-10(6-8)12-7-9(2)11/h3-6,12H,2,7H2,1H3
InChIKeyUHBNHBZLQAUWKS-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-chloroethenyl)-3-methylaniline
CID 71411235
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline
CID 167880606
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-methylaniline?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-methylaniline (CID 60679551) is N-(2-chloroprop-2-enyl)-3-methylaniline.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-methylaniline?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-methylaniline is C=C(Cl)CNc1cccc(C)c1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-methylaniline?
The InChIKey is UHBNHBZLQAUWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-8-4-3-5-10(6-8)12-7-9(2)11/h3-6,12H,2,7H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-3-methylaniline?
N-(2-chloroprop-2-enyl)-3-methylaniline has a molecular weight of 181.67 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-methylaniline is sourced from PubChem (CID 60679551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).