(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol

C22H26N2O — CID 142662293

IUPAC(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol
SMILESC[C@@H](NC[C@H](O)C(N)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H26N2O/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)24-15-22(25)21(23)14-17-8-3-2-4-9-17/h2-13,16,21-22,24-25H,14-15,23H2,1H3/t16-,21?,22+/m1/s1
InChIKeyZXPRJEUNEIWXIO-OBLXYAIXSA-N
MW334.46 g/mol
LogP3.42
Rot. Bonds7

About (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol

(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol (PubChem CID 142662293) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol
PubChem CID142662293
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol
SMILESC[C@@H](NC[C@H](O)C(N)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H26N2O/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)24-15-22(25)21(23)14-17-8-3-2-4-9-17/h2-13,16,21-22,24-25H,14-15,23H2,1H3/t16-,21?,22+/m1/s1
InChIKeyZXPRJEUNEIWXIO-OBLXYAIXSA-N
XLogP3.42
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol with MolForge

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Related Compounds

3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol
CID 101211100
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
1-(4-chlorophenyl)-2-(1-naphthalen-1-ylethylamino)ethanol
CID 42942251
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol?
The IUPAC name of (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol (CID 142662293) is (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol?
The canonical SMILES for (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol is C[C@@H](NC[C@H](O)C(N)Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol?
The InChIKey is ZXPRJEUNEIWXIO-OBLXYAIXSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)24-15-22(25)21(23)14-17-8-3-2-4-9-17/h2-13,16,21-22,24-25H,14-15,23H2,1H3/t16-,21?,22+/m1/s1.
What are the key properties of (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol?
(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 142662293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).