3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol

C19H25NO — CID 53253806

IUPAC3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(c1ccccc1Nc1ccccc1)C(C)C
InChIInChI=1S/C19H25NO/c1-14(2)19(21,15(3)4)17-12-8-9-13-18(17)20-16-10-6-5-7-11-16/h5-15,20-21H,1-4H3
InChIKeyVFWKVUNLHJCIIV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.93
Rot. Bonds5

About 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol

3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol (PubChem CID 53253806) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol
PubChem CID53253806
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(c1ccccc1Nc1ccccc1)C(C)C
InChIInChI=1S/C19H25NO/c1-14(2)19(21,15(3)4)17-12-8-9-13-18(17)20-16-10-6-5-7-11-16/h5-15,20-21H,1-4H3
InChIKeyVFWKVUNLHJCIIV-UHFFFAOYSA-N
XLogP4.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-anilinophenyl)-1-phenylethanol
CID 70861869
3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
CID 11974474
2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
CID 95479757
2,4-bis(2-anilinophenyl)pentan-3-one
CID 150203420
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
1-anilinoethanol;hydrate
CID 173450384
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557
3-anilinobutan-2-ol
CID 13494330
2-(2-methylphenyl)sulfanyl-N-phenylaniline
CID 145291254
N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 15175680
(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
CID 11543104
2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline
CID 59664093

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol (CID 53253806) is 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol is CC(C)C(O)(c1ccccc1Nc1ccccc1)C(C)C.
What is the InChIKey of 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol?
The InChIKey is VFWKVUNLHJCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)19(21,15(3)4)17-12-8-9-13-18(17)20-16-10-6-5-7-11-16/h5-15,20-21H,1-4H3.
What are the key properties of 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol?
3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 53253806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).