(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine

C19H24N2 — CID 101367368

IUPAC(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine
SMILESC[C@H](N)[C@H]1[C@H](c2ccccc2)[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C19H24N2/c1-14(20)19-18(17-11-7-4-8-12-17)15(2)21(19)13-16-9-5-3-6-10-16/h3-12,14-15,18-19H,13,20H2,1-2H3/t14-,15-,18-,19-/m0/s1
InChIKeyTVGBTSXTOBKMGO-LNMJFAINSA-N
MW280.42 g/mol
LogP3.39
Rot. Bonds4

About (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine

(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine (PubChem CID 101367368) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine
PubChem CID101367368
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine
SMILESC[C@H](N)[C@H]1[C@H](c2ccccc2)[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C19H24N2/c1-14(20)19-18(17-11-7-4-8-12-17)15(2)21(19)13-16-9-5-3-6-10-16/h3-12,14-15,18-19H,13,20H2,1-2H3/t14-,15-,18-,19-/m0/s1
InChIKeyTVGBTSXTOBKMGO-LNMJFAINSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S)-1-benzyl-2-(chloromethyl)-4-methyl-3-phenylazetidine
CID 53344124
(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
CID 101385103
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
CID 140974143
(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
CID 95242096
(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(3aR,4R,6S,6aS)-5-benzyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10869050
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine?
The IUPAC name of (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine (CID 101367368) is (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine is C[C@H](N)[C@H]1[C@H](c2ccccc2)[C@H](C)N1Cc1ccccc1.
What is the InChIKey of (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine?
The InChIKey is TVGBTSXTOBKMGO-LNMJFAINSA-N. The full InChI is InChI=1S/C19H24N2/c1-14(20)19-18(17-11-7-4-8-12-17)15(2)21(19)13-16-9-5-3-6-10-16/h3-12,14-15,18-19H,13,20H2,1-2H3/t14-,15-,18-,19-/m0/s1.
What are the key properties of (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine?
(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine is sourced from PubChem (CID 101367368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).