1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine

C14H19ClN2 — CID 114251538

IUPAC1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine
SMILESCc1cccc(N2CCC(NC3CC3)C2)c1Cl
InChIInChI=1S/C14H19ClN2/c1-10-3-2-4-13(14(10)15)17-8-7-12(9-17)16-11-5-6-11/h2-4,11-12,16H,5-9H2,1H3
InChIKeyBQTRJQHQZUSHOA-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine

1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine (PubChem CID 114251538) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine
PubChem CID114251538
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine
SMILESCc1cccc(N2CCC(NC3CC3)C2)c1Cl
InChIInChI=1S/C14H19ClN2/c1-10-3-2-4-13(14(10)15)17-8-7-12(9-17)16-11-5-6-11/h2-4,11-12,16H,5-9H2,1H3
InChIKeyBQTRJQHQZUSHOA-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine (CID 114251538) is 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine is Cc1cccc(N2CCC(NC3CC3)C2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is BQTRJQHQZUSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10-3-2-4-13(14(10)15)17-8-7-12(9-17)16-11-5-6-11/h2-4,11-12,16H,5-9H2,1H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine?
1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 250.77 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 114251538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).