2-(chloromethyl)-N-cyclopropylaniline

C10H12ClN — CID 175153932

IUPAC2-(chloromethyl)-N-cyclopropylaniline
SMILESClCc1ccccc1NC1CC1
InChIInChI=1S/C10H12ClN/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9,12H,5-7H2
InChIKeyMNECHWIKSNLHDB-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.00
Rot. Bonds3

About 2-(chloromethyl)-N-cyclopropylaniline

2-(chloromethyl)-N-cyclopropylaniline (PubChem CID 175153932) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclopropylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclopropylaniline
PubChem CID175153932
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-(chloromethyl)-N-cyclopropylaniline
SMILESClCc1ccccc1NC1CC1
InChIInChI=1S/C10H12ClN/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9,12H,5-7H2
InChIKeyMNECHWIKSNLHDB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-cyclopropylaniline
CID 83816645
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
CID 168639689
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753632
N-(2-propylphenyl)piperidin-4-amine
CID 61016872
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
2-(chloromethyl)-N-phosphorosoaniline
CID 118202190
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-cyclopropylaniline?
The IUPAC name of 2-(chloromethyl)-N-cyclopropylaniline (CID 175153932) is 2-(chloromethyl)-N-cyclopropylaniline.
What is the SMILES notation for 2-(chloromethyl)-N-cyclopropylaniline?
The canonical SMILES for 2-(chloromethyl)-N-cyclopropylaniline is ClCc1ccccc1NC1CC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclopropylaniline?
The InChIKey is MNECHWIKSNLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-(chloromethyl)-N-cyclopropylaniline?
2-(chloromethyl)-N-cyclopropylaniline has a molecular weight of 181.67 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclopropylaniline is sourced from PubChem (CID 175153932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).