(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine

C18H20Cl2N2 — CID 30034860

IUPAC(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESClc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1Cl
InChIInChI=1S/C18H20Cl2N2/c19-17-8-4-7-15(18(17)20)11-21-16-9-10-22(13-16)12-14-5-2-1-3-6-14/h1-8,16,21H,9-13H2/t16-/m0/s1
InChIKeyLRTAEWIIYOUKFW-INIZCTEOSA-N
MW335.28 g/mol
LogP4.36
Rot. Bonds5

About (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine

(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 30034860) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
PubChem CID30034860
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESClc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1Cl
InChIInChI=1S/C18H20Cl2N2/c19-17-8-4-7-15(18(17)20)11-21-16-9-10-22(13-16)12-14-5-2-1-3-6-14/h1-8,16,21H,9-13H2/t16-/m0/s1
InChIKeyLRTAEWIIYOUKFW-INIZCTEOSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine (CID 30034860) is (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine is Clc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1Cl.
What is the InChIKey of (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is LRTAEWIIYOUKFW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c19-17-8-4-7-15(18(17)20)11-21-16-9-10-22(13-16)12-14-5-2-1-3-6-14/h1-8,16,21H,9-13H2/t16-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine?
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 335.28 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 30034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).