1-(1,2-diphenylethylamino)-3-methylbutan-2-ol

C19H25NO — CID 115720401

IUPAC1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)19(21)14-20-18(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3
InChIKeyLREUHIYEMVCJAR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds7

About 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol

1-(1,2-diphenylethylamino)-3-methylbutan-2-ol (PubChem CID 115720401) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
PubChem CID115720401
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)19(21)14-20-18(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3
InChIKeyLREUHIYEMVCJAR-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
CID 54605176
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
CID 106179833
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
1,2-diphenyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 78826333
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol (CID 115720401) is 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol is CC(C)C(O)CNC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol?
The InChIKey is LREUHIYEMVCJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)19(21)14-20-18(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3.
What are the key properties of 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol?
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 115720401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).