(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine

C25H28N2 — CID 102508566

IUPAC(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine
SMILESC[C@H](N[C@H]1CN([C@@H](C)c2ccccc2)[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2/c1-19(21-12-6-3-7-13-21)26-24-18-27(20(2)22-14-8-4-9-15-22)25(24)23-16-10-5-11-17-23/h3-17,19-20,24-26H,18H2,1-2H3/t19-,20-,24-,25-/m0/s1
InChIKeyNDPIXQMEAQDONR-WNLYKICVSA-N
MW356.51 g/mol
LogP5.52
Rot. Bonds6

About (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine

(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine (PubChem CID 102508566) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine
PubChem CID102508566
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine
SMILESC[C@H](N[C@H]1CN([C@@H](C)c2ccccc2)[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2/c1-19(21-12-6-3-7-13-21)26-24-18-27(20(2)22-14-8-4-9-15-22)25(24)23-16-10-5-11-17-23/h3-17,19-20,24-26H,18H2,1-2H3/t19-,20-,24-,25-/m0/s1
InChIKeyNDPIXQMEAQDONR-WNLYKICVSA-N
XLogP5.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane
CID 102515555
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CID 71369134
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 10883424
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine?
The IUPAC name of (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine (CID 102508566) is (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine?
The canonical SMILES for (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine is C[C@H](N[C@H]1CN([C@@H](C)c2ccccc2)[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine?
The InChIKey is NDPIXQMEAQDONR-WNLYKICVSA-N. The full InChI is InChI=1S/C25H28N2/c1-19(21-12-6-3-7-13-21)26-24-18-27(20(2)22-14-8-4-9-15-22)25(24)23-16-10-5-11-17-23/h3-17,19-20,24-26H,18H2,1-2H3/t19-,20-,24-,25-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine?
(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine has a molecular weight of 356.51 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine is sourced from PubChem (CID 102508566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).