N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine

C16H25ClN2 — CID 62512123

IUPACN-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H25ClN2/c1-3-8-18-11-14-7-9-19(12-14)13(2)15-5-4-6-16(17)10-15/h4-6,10,13-14,18H,3,7-9,11-12H2,1-2H3
InChIKeyKRVMSNIXUJIWSG-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.72
Rot. Bonds6

About N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 62512123) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID62512123
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H25ClN2/c1-3-8-18-11-14-7-9-19(12-14)13(2)15-5-4-6-16(17)10-15/h4-6,10,13-14,18H,3,7-9,11-12H2,1-2H3
InChIKeyKRVMSNIXUJIWSG-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 95158904
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345
3-(3-chlorophenyl)-N-propylbutan-1-amine
CID 81019397
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 62512123) is N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(C(C)c2cccc(Cl)c2)C1.
What is the InChIKey of N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is KRVMSNIXUJIWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-8-18-11-14-7-9-19(12-14)13(2)15-5-4-6-16(17)10-15/h4-6,10,13-14,18H,3,7-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62512123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).