2-chloro-6-(cyclopropylmethyl)aniline

C10H12ClN — CID 105439830

IUPAC2-chloro-6-(cyclopropylmethyl)aniline
SMILESNc1c(Cl)cccc1CC1CC1
InChIInChI=1S/C10H12ClN/c11-9-3-1-2-8(10(9)12)6-7-4-5-7/h1-3,7H,4-6,12H2
InChIKeyWMCMJOUIZIBZPC-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.87
Rot. Bonds2

About 2-chloro-6-(cyclopropylmethyl)aniline

2-chloro-6-(cyclopropylmethyl)aniline (PubChem CID 105439830) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethyl)aniline
PubChem CID105439830
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-6-(cyclopropylmethyl)aniline
SMILESNc1c(Cl)cccc1CC1CC1
InChIInChI=1S/C10H12ClN/c11-9-3-1-2-8(10(9)12)6-7-4-5-7/h1-3,7H,4-6,12H2
InChIKeyWMCMJOUIZIBZPC-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
4-Chloro-2-toluidine
CID 7251
2-Chloro-p-toluidine
CID 12007
2-Chloro-6-methylaniline
CID 6897
2-Chloro-4,6-dimethylaniline
CID 113033
4-Chloro-2,6-dimethylaniline
CID 5073362
2-Chloro-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 117632184
2-Amino-3-chlorobenzonitrile
CID 12627363
2,4-Dichloro-6-methylaniline
CID 1268287
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
3-Chloro-biphenyl-4-ylamine
CID 21959
4-Chloro-2-phenylaniline
CID 239637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethyl)aniline?
The IUPAC name of 2-chloro-6-(cyclopropylmethyl)aniline (CID 105439830) is 2-chloro-6-(cyclopropylmethyl)aniline.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethyl)aniline?
The canonical SMILES for 2-chloro-6-(cyclopropylmethyl)aniline is Nc1c(Cl)cccc1CC1CC1.
What is the InChIKey of 2-chloro-6-(cyclopropylmethyl)aniline?
The InChIKey is WMCMJOUIZIBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-9-3-1-2-8(10(9)12)6-7-4-5-7/h1-3,7H,4-6,12H2.
What are the key properties of 2-chloro-6-(cyclopropylmethyl)aniline?
2-chloro-6-(cyclopropylmethyl)aniline has a molecular weight of 181.67 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethyl)aniline is sourced from PubChem (CID 105439830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).