N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine

C14H15ClN2 — CID 114076929

IUPACN-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(-c2ccc[nH]2)cc1CNC1CC1
InChIInChI=1S/C14H15ClN2/c15-13-6-3-10(14-2-1-7-16-14)8-11(13)9-17-12-4-5-12/h1-3,6-8,12,16-17H,4-5,9H2
InChIKeyXFYYLBUXZVKCDM-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.59
Rot. Bonds4

About N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114076929) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine
PubChem CID114076929
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(-c2ccc[nH]2)cc1CNC1CC1
InChIInChI=1S/C14H15ClN2/c15-13-6-3-10(14-2-1-7-16-14)8-11(13)9-17-12-4-5-12/h1-3,6-8,12,16-17H,4-5,9H2
InChIKeyXFYYLBUXZVKCDM-UHFFFAOYSA-N
XLogP3.59
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
CID 82527356
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
CID 174738442
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60849821
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
N-[(2-chloro-5-fluorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123298
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine (CID 114076929) is N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine is Clc1ccc(-c2ccc[nH]2)cc1CNC1CC1.
What is the InChIKey of N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XFYYLBUXZVKCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13-6-3-10(14-2-1-7-16-14)8-11(13)9-17-12-4-5-12/h1-3,6-8,12,16-17H,4-5,9H2.
What are the key properties of N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 246.74 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(1H-pyrrol-2-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114076929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).