2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol

C17H21NO2 — CID 61045679

IUPAC2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
SMILESCOc1cccc(C(C)(CO)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO2/c1-13-7-9-15(10-8-13)18-17(2,12-19)14-5-4-6-16(11-14)20-3/h4-11,18-19H,12H2,1-3H3
InChIKeyHWGCXBBVKUGXCU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol

2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol (PubChem CID 61045679) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
PubChem CID61045679
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
SMILESCOc1cccc(C(C)(CO)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO2/c1-13-7-9-15(10-8-13)18-17(2,12-19)14-5-4-6-16(11-14)20-3/h4-11,18-19H,12H2,1-3H3
InChIKeyHWGCXBBVKUGXCU-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
CID 61049856
2-(4-methylanilino)-2-pyridin-3-ylpropan-1-ol
CID 61045318
2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
CID 105057714
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
N-[2-(3-methoxyphenyl)propan-2-yl]aniline
CID 69399416
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol?
The IUPAC name of 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol (CID 61045679) is 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol is COc1cccc(C(C)(CO)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol?
The InChIKey is HWGCXBBVKUGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-9-15(10-8-13)18-17(2,12-19)14-5-4-6-16(11-14)20-3/h4-11,18-19H,12H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol?
2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol is sourced from PubChem (CID 61045679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).