N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine

C18H27ClN2 — CID 79058476

IUPACN-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H27ClN2/c1-2-20-17(15-8-7-9-16(19)14-15)18(10-3-4-11-18)21-12-5-6-13-21/h7-9,14,17,20H,2-6,10-13H2,1H3
InChIKeyFYHFKVMGLUZJRD-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.40
Rot. Bonds5

About N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine

N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine (PubChem CID 79058476) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine
PubChem CID79058476
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H27ClN2/c1-2-20-17(15-8-7-9-16(19)14-15)18(10-3-4-11-18)21-12-5-6-13-21/h7-9,14,17,20H,2-6,10-13H2,1H3
InChIKeyFYHFKVMGLUZJRD-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
N-[(1-pyrrolidin-1-ylcyclopentyl)-thiophen-2-ylmethyl]ethanamine
CID 79058723
[(4-chlorophenyl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105242973
N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
CID 79058513
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 59347911
N-[1-(3-chlorophenyl)propyl]piperidin-1-amine
CID 83006471
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine (CID 79058476) is N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine?
The InChIKey is FYHFKVMGLUZJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-2-20-17(15-8-7-9-16(19)14-15)18(10-3-4-11-18)21-12-5-6-13-21/h7-9,14,17,20H,2-6,10-13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine has a molecular weight of 306.88 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 79058476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).