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

C17H22N2O2 — CID 24900022

IUPAC3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
SMILESCOc1ccc(C(C(O)CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3
InChIKeyIZYQNPOIOLPIRC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.19
Rot. Bonds6

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

3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol (PubChem CID 24900022) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
PubChem CID24900022
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
SMILESCOc1ccc(C(C(O)CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3
InChIKeyIZYQNPOIOLPIRC-UHFFFAOYSA-N
XLogP2.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-3-amino-1-(4-chloro-N-methylanilino)-1-(4-methoxyphenyl)propan-2-ol
CID 24897265
(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 42629242
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
3-(4-chloro-N-methylanilino)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 68546798
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
CID 82043143
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
CID 91311967
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62001612
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
The IUPAC name of 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol (CID 24900022) is 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
The canonical SMILES for 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol is COc1ccc(C(C(O)CN)N(C)c2ccccc2)cc1.
What is the InChIKey of 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
The InChIKey is IZYQNPOIOLPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3.
What are the key properties of 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol is sourced from PubChem (CID 24900022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).