(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol

C21H23NO — CID 10709738

IUPAC(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
SMILESC[C@H](N[C@H](C)c1ccccc1)[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C21H23NO/c1-15(17-8-4-3-5-9-17)22-16(2)21(23)20-13-12-18-10-6-7-11-19(18)14-20/h3-16,21-23H,1-2H3/t15-,16+,21-/m1/s1
InChIKeyQZKFERBUDWVDKI-VWKPWSFCSA-N
MW305.42 g/mol
LogP4.61
Rot. Bonds5

About (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol

(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol (PubChem CID 10709738) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
PubChem CID10709738
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
SMILESC[C@H](N[C@H](C)c1ccccc1)[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C21H23NO/c1-15(17-8-4-3-5-9-17)22-16(2)21(23)20-13-12-18-10-6-7-11-19(18)14-20/h3-16,21-23H,1-2H3/t15-,16+,21-/m1/s1
InChIKeyQZKFERBUDWVDKI-VWKPWSFCSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol with MolForge

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Related Compounds

N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
CID 101460872
3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol
CID 82312219
N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
The IUPAC name of (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol (CID 10709738) is (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol.
What is the SMILES notation for (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
The canonical SMILES for (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol is C[C@H](N[C@H](C)c1ccccc1)[C@@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
The InChIKey is QZKFERBUDWVDKI-VWKPWSFCSA-N. The full InChI is InChI=1S/C21H23NO/c1-15(17-8-4-3-5-9-17)22-16(2)21(23)20-13-12-18-10-6-7-11-19(18)14-20/h3-16,21-23H,1-2H3/t15-,16+,21-/m1/s1.
What are the key properties of (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol is sourced from PubChem (CID 10709738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).