2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol

C26H25NO — CID 101211100

IUPAC2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol
SMILESC[C@H](N[C@H](Cc1ccccc1)c1ccccc1O)c1cccc2ccccc12
InChIInChI=1S/C26H25NO/c1-19(22-16-9-13-21-12-5-6-14-23(21)22)27-25(18-20-10-3-2-4-11-20)24-15-7-8-17-26(24)28/h2-17,19,25,27-28H,18H2,1H3/t19-,25+/m0/s1
InChIKeyFFLRTZGRMCJKQV-UQBPGWFLSA-N
MW367.49 g/mol
LogP6.18
Rot. Bonds6

About 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol

2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol (PubChem CID 101211100) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol
PubChem CID101211100
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol
SMILESC[C@H](N[C@H](Cc1ccccc1)c1ccccc1O)c1cccc2ccccc12
InChIInChI=1S/C26H25NO/c1-19(22-16-9-13-21-12-5-6-14-23(21)22)27-25(18-20-10-3-2-4-11-20)24-15-7-8-17-26(24)28/h2-17,19,25,27-28H,18H2,1H3/t19-,25+/m0/s1
InChIKeyFFLRTZGRMCJKQV-UQBPGWFLSA-N
XLogP6.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol
CID 142662293
2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54608356
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol?
The IUPAC name of 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol (CID 101211100) is 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol.
What is the SMILES notation for 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol?
The canonical SMILES for 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol is C[C@H](N[C@H](Cc1ccccc1)c1ccccc1O)c1cccc2ccccc12.
What is the InChIKey of 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol?
The InChIKey is FFLRTZGRMCJKQV-UQBPGWFLSA-N. The full InChI is InChI=1S/C26H25NO/c1-19(22-16-9-13-21-12-5-6-14-23(21)22)27-25(18-20-10-3-2-4-11-20)24-15-7-8-17-26(24)28/h2-17,19,25,27-28H,18H2,1H3/t19-,25+/m0/s1.
What are the key properties of 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol?
2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol has a molecular weight of 367.49 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol is sourced from PubChem (CID 101211100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).