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

C17H22N2O2 — CID 82071747

IUPAC1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
SMILESCOc1ccc(C(O)CCN(C)c2ccccc2)cc1N
InChIInChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)11-10-16(20)13-8-9-17(21-2)15(18)12-13/h3-9,12,16,20H,10-11,18H2,1-2H3
InChIKeyNIHPJVBYIBSQNL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.84
Rot. Bonds6

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

1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol (PubChem CID 82071747) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
PubChem CID82071747
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
SMILESCOc1ccc(C(O)CCN(C)c2ccccc2)cc1N
InChIInChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)11-10-16(20)13-8-9-17(21-2)15(18)12-13/h3-9,12,16,20H,10-11,18H2,1-2H3
InChIKeyNIHPJVBYIBSQNL-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
CID 82071253
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
CID 112513189
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol (CID 82071747) is 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol is COc1ccc(C(O)CCN(C)c2ccccc2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol?
The InChIKey is NIHPJVBYIBSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)11-10-16(20)13-8-9-17(21-2)15(18)12-13/h3-9,12,16,20H,10-11,18H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol?
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol is sourced from PubChem (CID 82071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).