2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine

C12H17ClFN3 — CID 123372995

IUPAC2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine
SMILESNC1CCNC1CNCc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFN3/c13-9-3-1-2-8(12(9)14)6-16-7-11-10(15)4-5-17-11/h1-3,10-11,16-17H,4-7,15H2
InChIKeyABOANCPZYSVEKD-UHFFFAOYSA-N
MW257.74 g/mol
LogP1.26
Rot. Bonds4

About 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine

2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine (PubChem CID 123372995) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine
PubChem CID123372995
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine
SMILESNC1CCNC1CNCc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFN3/c13-9-3-1-2-8(12(9)14)6-16-7-11-10(15)4-5-17-11/h1-3,10-11,16-17H,4-7,15H2
InChIKeyABOANCPZYSVEKD-UHFFFAOYSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115695890
4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
CID 123841622
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128992936
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine?
The IUPAC name of 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine (CID 123372995) is 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine?
The canonical SMILES for 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine is NC1CCNC1CNCc1cccc(Cl)c1F.
What is the InChIKey of 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine?
The InChIKey is ABOANCPZYSVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c13-9-3-1-2-8(12(9)14)6-16-7-11-10(15)4-5-17-11/h1-3,10-11,16-17H,4-7,15H2.
What are the key properties of 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine?
2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine has a molecular weight of 257.74 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 123372995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).