N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

C18H22ClN3 — CID 86918988

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESClc1ccc(CNCC(c2ccccc2)N2CCCC2)cn1
InChIInChI=1S/C18H22ClN3/c19-18-9-8-15(13-21-18)12-20-14-17(22-10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-9,13,17,20H,4-5,10-12,14H2
InChIKeyCXUCFWBBCBRNFK-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.66
Rot. Bonds6

About N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 86918988) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID86918988
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESClc1ccc(CNCC(c2ccccc2)N2CCCC2)cn1
InChIInChI=1S/C18H22ClN3/c19-18-9-8-15(13-21-18)12-20-14-17(22-10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-9,13,17,20H,4-5,10-12,14H2
InChIKeyCXUCFWBBCBRNFK-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 52510560
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (CID 86918988) is N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is Clc1ccc(CNCC(c2ccccc2)N2CCCC2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is CXUCFWBBCBRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-18-9-8-15(13-21-18)12-20-14-17(22-10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-9,13,17,20H,4-5,10-12,14H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 315.85 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 86918988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).