2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol

C18H23NO — CID 61047781

IUPAC2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
SMILESCc1cccc(NC(C)(CO)CCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-7-6-10-17(13-15)19-18(2,14-20)12-11-16-8-4-3-5-9-16/h3-10,13,19-20H,11-12,14H2,1-2H3
InChIKeyVNVGCRQBCJFJRQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.79
Rot. Bonds6

About 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol

2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol (PubChem CID 61047781) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
PubChem CID61047781
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
SMILESCc1cccc(NC(C)(CO)CCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-7-6-10-17(13-15)19-18(2,14-20)12-11-16-8-4-3-5-9-16/h3-10,13,19-20H,11-12,14H2,1-2H3
InChIKeyVNVGCRQBCJFJRQ-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-methylanilino)-4-phenylbutanamide
CID 61005082
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-(4-methoxyanilino)-2-methyl-4-phenylbutan-1-ol
CID 61045480
2-anilino-2-methylpentan-1-ol
CID 61046243
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
CID 61046174
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
ethane;3-methyl-N-tritylaniline
CID 143156765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol?
The IUPAC name of 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol (CID 61047781) is 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol.
What is the SMILES notation for 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol?
The canonical SMILES for 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol is Cc1cccc(NC(C)(CO)CCc2ccccc2)c1.
What is the InChIKey of 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol?
The InChIKey is VNVGCRQBCJFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-7-6-10-17(13-15)19-18(2,14-20)12-11-16-8-4-3-5-9-16/h3-10,13,19-20H,11-12,14H2,1-2H3.
What are the key properties of 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol?
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol is sourced from PubChem (CID 61047781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).