N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine

C16H22Cl2N2 — CID 69171921

IUPACN-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESClc1ccc(CN(C2CCCC2)C2CCNC2)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2/c17-13-6-5-12(16(18)9-13)11-20(14-3-1-2-4-14)15-7-8-19-10-15/h5-6,9,14-15,19H,1-4,7-8,10-11H2
InChIKeyBWTJLCGFKQZEPF-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.10
Rot. Bonds4

About N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine

N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 69171921) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
PubChem CID69171921
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESClc1ccc(CN(C2CCCC2)C2CCNC2)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2/c17-13-6-5-12(16(18)9-13)11-20(14-3-1-2-4-14)15-7-8-19-10-15/h5-6,9,14-15,19H,1-4,7-8,10-11H2
InChIKeyBWTJLCGFKQZEPF-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 11153118
N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120966581
(3S)-N-cyclohexyl-N-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-amine
CID 11278131
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842429
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine
CID 58624333
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551541
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
CID 11380271
(3S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopentylpyrrolidin-3-amine;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 69068779

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine (CID 69171921) is N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine is Clc1ccc(CN(C2CCCC2)C2CCNC2)c(Cl)c1.
What is the InChIKey of N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is BWTJLCGFKQZEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-13-6-5-12(16(18)9-13)11-20(14-3-1-2-4-14)15-7-8-19-10-15/h5-6,9,14-15,19H,1-4,7-8,10-11H2.
What are the key properties of N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 313.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69171921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).