4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol

C19H25NO — CID 111449763

IUPAC4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
SMILESCc1ccc(C)c(CNC(CCCO)c2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-15-10-11-16(2)18(13-15)14-20-19(9-6-12-21)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19-21H,6,9,12,14H2,1-2H3
InChIKeyFXGDFAQEBJJSKJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds7

About 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol

4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol (PubChem CID 111449763) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
PubChem CID111449763
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
SMILESCc1ccc(C)c(CNC(CCCO)c2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-15-10-11-16(2)18(13-15)14-20-19(9-6-12-21)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19-21H,6,9,12,14H2,1-2H3
InChIKeyFXGDFAQEBJJSKJ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725
4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449854
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
4-[(2-chloro-3-pyridinyl)methylamino]-4-phenylbutan-1-ol
CID 111449772
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol (CID 111449763) is 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol is Cc1ccc(C)c(CNC(CCCO)c2ccccc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol?
The InChIKey is FXGDFAQEBJJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-10-11-16(2)18(13-15)14-20-19(9-6-12-21)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19-21H,6,9,12,14H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol?
4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol is sourced from PubChem (CID 111449763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).