N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine

C20H26ClN3 — CID 51623399

IUPACN-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1Cl
InChIInChI=1S/C20H26ClN3/c1-2-24-13-5-7-19(24)16-23(14-17-9-11-22-12-10-17)15-18-6-3-4-8-20(18)21/h3-4,6,8-12,19H,2,5,7,13-16H2,1H3/t19-/m1/s1
InChIKeyDKKSYURPWQPRFH-LJQANCHMSA-N
MW343.90 g/mol
LogP4.22
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine

N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 51623399) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID51623399
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1Cl
InChIInChI=1S/C20H26ClN3/c1-2-24-13-5-7-19(24)16-23(14-17-9-11-22-12-10-17)15-18-6-3-4-8-20(18)21/h3-4,6,8-12,19H,2,5,7,13-16H2,1H3/t19-/m1/s1
InChIKeyDKKSYURPWQPRFH-LJQANCHMSA-N
XLogP4.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
2-[[benzyl-[[(2S)-1-butylpyrrolidin-2-yl]methyl]amino]methyl]-4,6-dichlorophenol
CID 132515735
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51623338
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677092
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213720

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 51623399) is N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine is CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is DKKSYURPWQPRFH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26ClN3/c1-2-24-13-5-7-19(24)16-23(14-17-9-11-22-12-10-17)15-18-6-3-4-8-20(18)21/h3-4,6,8-12,19H,2,5,7,13-16H2,1H3/t19-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 343.90 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 51623399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).