2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol

C19H25NO — CID 143010811

IUPAC2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol
SMILESCc1ccccc1C[C@H](CCNCCO)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16-7-5-6-10-18(16)15-19(11-12-20-13-14-21)17-8-3-2-4-9-17/h2-10,19-21H,11-15H2,1H3/t19-/m0/s1
InChIKeyZXCGFRLZZRFXLV-IBGZPJMESA-N
MW283.42 g/mol
LogP3.29
Rot. Bonds8

About 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol

2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol (PubChem CID 143010811) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol
PubChem CID143010811
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol
SMILESCc1ccccc1C[C@H](CCNCCO)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16-7-5-6-10-18(16)15-19(11-12-20-13-14-21)17-8-3-2-4-9-17/h2-10,19-21H,11-15H2,1H3/t19-/m0/s1
InChIKeyZXCGFRLZZRFXLV-IBGZPJMESA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3R)-4-(2-bromophenyl)-3-phenylbutyl]amino]ethanol;methanol
CID 143010727
2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol
CID 142864952
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
CID 81019266
2-(2-hydroxyethylamino)ethanol;[(1S)-1-phenylethyl]boronic acid
CID 121012623
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011
2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
2-(2-phenylnonylamino)ethanol
CID 142077190
5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid
CID 139938517
ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
CID 144861751

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol?
The IUPAC name of 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol (CID 143010811) is 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol.
What is the SMILES notation for 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol?
The canonical SMILES for 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol is Cc1ccccc1C[C@H](CCNCCO)c1ccccc1.
What is the InChIKey of 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol?
The InChIKey is ZXCGFRLZZRFXLV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO/c1-16-7-5-6-10-18(16)15-19(11-12-20-13-14-21)17-8-3-2-4-9-17/h2-10,19-21H,11-15H2,1H3/t19-/m0/s1.
What are the key properties of 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol?
2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol has a molecular weight of 283.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol is sourced from PubChem (CID 143010811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).