[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol

C17H22N2O2 — CID 107231927

IUPAC[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
SMILESCC(C)Oc1cccc(NCc2cccc(CO)c2)c1N
InChIInChI=1S/C17H22N2O2/c1-12(2)21-16-8-4-7-15(17(16)18)19-10-13-5-3-6-14(9-13)11-20/h3-9,12,19-20H,10-11,18H2,1-2H3
InChIKeyYZBDOLZFDXHLQM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.16
Rot. Bonds6

About [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol

[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol (PubChem CID 107231927) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
PubChem CID107231927
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
SMILESCC(C)Oc1cccc(NCc2cccc(CO)c2)c1N
InChIInChI=1S/C17H22N2O2/c1-12(2)21-16-8-4-7-15(17(16)18)19-10-13-5-3-6-14(9-13)11-20/h3-9,12,19-20H,10-11,18H2,1-2H3
InChIKeyYZBDOLZFDXHLQM-UHFFFAOYSA-N
XLogP3.16
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2-amino-3-chloroanilino)methyl]phenyl]methanol
CID 107231829
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 104591312
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
4-[(2-propan-2-yloxyanilino)methyl]benzene-1,2-diol
CID 43739197
[3-[(2-amino-5-methoxyanilino)methyl]phenyl]methanol
CID 107231944
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000
4-fluoro-1-N-[(3-methylphenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592243
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
CID 107231702
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol (CID 107231927) is [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol is CC(C)Oc1cccc(NCc2cccc(CO)c2)c1N.
What is the InChIKey of [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol?
The InChIKey is YZBDOLZFDXHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)21-16-8-4-7-15(17(16)18)19-10-13-5-3-6-14(9-13)11-20/h3-9,12,19-20H,10-11,18H2,1-2H3.
What are the key properties of [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol?
[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107231927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).