(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine

C22H30N2O — CID 11667246

IUPAC(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
SMILESC[C@@H](c1ccccc1)N1CC[C@H]1[C@H](N)CCCOCc1ccccc1
InChIInChI=1S/C22H30N2O/c1-18(20-11-6-3-7-12-20)24-15-14-22(24)21(23)13-8-16-25-17-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17,23H2,1H3/t18-,21+,22-/m0/s1
InChIKeySFKBNPNZERTYDN-BWAGFHJFSA-N
MW338.50 g/mol
LogP4.15
Rot. Bonds9

About (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine

(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine (PubChem CID 11667246) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
PubChem CID11667246
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
SMILESC[C@@H](c1ccccc1)N1CC[C@H]1[C@H](N)CCCOCc1ccccc1
InChIInChI=1S/C22H30N2O/c1-18(20-11-6-3-7-12-20)24-15-14-22(24)21(23)13-8-16-25-17-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17,23H2,1H3/t18-,21+,22-/m0/s1
InChIKeySFKBNPNZERTYDN-BWAGFHJFSA-N
XLogP4.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-phenylmethoxybutan-1-amine
CID 130537024
(2S,4S)-2-[(1R)-1,2-bis(phenylmethoxy)ethyl]-1-[(1R)-1-phenylethyl]piperidin-4-ol
CID 102305105
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
benzyl 3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 77462570
[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
CID 11254918
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
(4R)-4-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]-4-phenylmethoxybutan-1-ol
CID 138966726
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 16658207

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine?
The IUPAC name of (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine (CID 11667246) is (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine.
What is the SMILES notation for (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine?
The canonical SMILES for (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine is C[C@@H](c1ccccc1)N1CC[C@H]1[C@H](N)CCCOCc1ccccc1.
What is the InChIKey of (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine?
The InChIKey is SFKBNPNZERTYDN-BWAGFHJFSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18(20-11-6-3-7-12-20)24-15-14-22(24)21(23)13-8-16-25-17-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17,23H2,1H3/t18-,21+,22-/m0/s1.
What are the key properties of (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine?
(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine has a molecular weight of 338.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine is sourced from PubChem (CID 11667246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).