N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine

C15H21ClN2 — CID 106862537

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESCc1ccc(CNC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN2/c1-11-2-3-12(15(16)8-11)9-17-13-6-7-18(10-13)14-4-5-14/h2-3,8,13-14,17H,4-7,9-10H2,1H3
InChIKeyDFMWLARJGRBJPS-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.97
Rot. Bonds4

About N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine

N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine (PubChem CID 106862537) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
PubChem CID106862537
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESCc1ccc(CNC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN2/c1-11-2-3-12(15(16)8-11)9-17-13-6-7-18(10-13)14-4-5-14/h2-3,8,13-14,17H,4-7,9-10H2,1H3
InChIKeyDFMWLARJGRBJPS-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 106870096
1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 65246233
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 78942716
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine (CID 106862537) is N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine is Cc1ccc(CNC2CCN(C3CC3)C2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is DFMWLARJGRBJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-11-2-3-12(15(16)8-11)9-17-13-6-7-18(10-13)14-4-5-14/h2-3,8,13-14,17H,4-7,9-10H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 264.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 106862537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).