N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine

C16H23ClN2 — CID 62513584

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(CCN2CCC(CNC3CC3)C2)cc1
InChIInChI=1S/C16H23ClN2/c17-15-3-1-13(2-4-15)7-9-19-10-8-14(12-19)11-18-16-5-6-16/h1-4,14,16,18H,5-12H2
InChIKeyDEKVKBNUYOHLGQ-UHFFFAOYSA-N
MW278.83 g/mol
LogP2.96
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62513584) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62513584
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(CCN2CCC(CNC3CC3)C2)cc1
InChIInChI=1S/C16H23ClN2/c17-15-3-1-13(2-4-15)7-9-19-10-8-14(12-19)11-18-16-5-6-16/h1-4,14,16,18H,5-12H2
InChIKeyDEKVKBNUYOHLGQ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 79749734
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55081380
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62513584) is N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine is Clc1ccc(CCN2CCC(CNC3CC3)C2)cc1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is DEKVKBNUYOHLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-3-1-13(2-4-15)7-9-19-10-8-14(12-19)11-18-16-5-6-16/h1-4,14,16,18H,5-12H2.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 278.83 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62513584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).