3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol

C19H25NO — CID 82312219

IUPAC3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol
SMILESCC(NC(C(C)C)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-14(2)18(19(21)17-12-8-5-9-13-17)20-15(3)16-10-6-4-7-11-16/h4-15,18-21H,1-3H3
InChIKeySMUATVWXTAYDJJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.10
Rot. Bonds6

About 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol

3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol (PubChem CID 82312219) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol
PubChem CID82312219
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol
SMILESCC(NC(C(C)C)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-14(2)18(19(21)17-12-8-5-9-13-17)20-15(3)16-10-6-4-7-11-16/h4-15,18-21H,1-3H3
InChIKeySMUATVWXTAYDJJ-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-hydroxy-3-methyl-1-phenylbutan-2-yl)amino]-3-methylbutanoic acid
CID 82312223
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
4-[(1-hydroxy-3-methyl-1-phenylbutan-2-yl)amino]butanoic acid
CID 82312226
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 10709738
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
(4R,5R)-3,6-bis(ethenyl)-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 15525887
2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol
CID 23274552
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
1,2-diphenylethane-1,2-diol
CID 159073808
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol?
The IUPAC name of 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol (CID 82312219) is 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol?
The canonical SMILES for 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol is CC(NC(C(C)C)C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol?
The InChIKey is SMUATVWXTAYDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)18(19(21)17-12-8-5-9-13-17)20-15(3)16-10-6-4-7-11-16/h4-15,18-21H,1-3H3.
What are the key properties of 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol?
3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol is sourced from PubChem (CID 82312219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).