[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol

C16H20N2O2 — CID 107231766

IUPAC[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
SMILESCCOc1cc(N)cc(NCc2cccc(CO)c2)c1
InChIInChI=1S/C16H20N2O2/c1-2-20-16-8-14(17)7-15(9-16)18-10-12-4-3-5-13(6-12)11-19/h3-9,18-19H,2,10-11,17H2,1H3
InChIKeyDUZZSUXKFKOXDV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.77
Rot. Bonds6

About [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol

[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol (PubChem CID 107231766) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
PubChem CID107231766
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
SMILESCCOc1cc(N)cc(NCc2cccc(CO)c2)c1
InChIInChI=1S/C16H20N2O2/c1-2-20-16-8-14(17)7-15(9-16)18-10-12-4-3-5-13(6-12)11-19/h3-9,18-19H,2,10-11,17H2,1H3
InChIKeyDUZZSUXKFKOXDV-UHFFFAOYSA-N
XLogP2.77
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.77
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-[(3-ethoxyanilino)methyl]aniline
CID 83961381
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80740146
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807
3-[(3-amino-5-propoxyanilino)methyl]benzonitrile
CID 80739121
3-N-[(2,4-difluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80739312
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657
5-ethoxy-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 80730449
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
CID 107231702
2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
CID 80723754
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526

Frequently Asked Questions

What is the IUPAC name of [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol (CID 107231766) is [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol is CCOc1cc(N)cc(NCc2cccc(CO)c2)c1.
What is the InChIKey of [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol?
The InChIKey is DUZZSUXKFKOXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-16-8-14(17)7-15(9-16)18-10-12-4-3-5-13(6-12)11-19/h3-9,18-19H,2,10-11,17H2,1H3.
What are the key properties of [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol?
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107231766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).