N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine

C16H18Cl2N2 — CID 4005680

IUPACN-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine
SMILESClc1ccc(-n2cccc2CNC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c17-12-7-8-16(15(18)10-12)20-9-3-6-14(20)11-19-13-4-1-2-5-13/h3,6-10,13,19H,1-2,4-5,11H2
InChIKeyZVTCKNOVPKGIIH-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.82
Rot. Bonds4

About N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine

N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine (PubChem CID 4005680) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine
PubChem CID4005680
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine
SMILESClc1ccc(-n2cccc2CNC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c17-12-7-8-16(15(18)10-12)20-9-3-6-14(20)11-19-13-4-1-2-5-13/h3,6-10,13,19H,1-2,4-5,11H2
InChIKeyZVTCKNOVPKGIIH-UHFFFAOYSA-N
XLogP4.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]adamantan-1-amine
CID 3611095
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 42761712
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117177106
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine (CID 4005680) is N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine is Clc1ccc(-n2cccc2CNC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine?
The InChIKey is ZVTCKNOVPKGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c17-12-7-8-16(15(18)10-12)20-9-3-6-14(20)11-19-13-4-1-2-5-13/h3,6-10,13,19H,1-2,4-5,11H2.
What are the key properties of N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine?
N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine has a molecular weight of 309.24 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 4005680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).