[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol

C15H18N2O2 — CID 107231702

IUPAC[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
SMILESCOc1cc(NCc2cccc(CO)c2)ccc1N
InChIInChI=1S/C15H18N2O2/c1-19-15-8-13(5-6-14(15)16)17-9-11-3-2-4-12(7-11)10-18/h2-8,17-18H,9-10,16H2,1H3
InChIKeyDZUSTDVJFWAHML-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds5

About [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol

[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol (PubChem CID 107231702) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
PubChem CID107231702
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
SMILESCOc1cc(NCc2cccc(CO)c2)ccc1N
InChIInChI=1S/C15H18N2O2/c1-19-15-8-13(5-6-14(15)16)17-9-11-3-2-4-12(7-11)10-18/h2-8,17-18H,9-10,16H2,1H3
InChIKeyDZUSTDVJFWAHML-UHFFFAOYSA-N
XLogP2.38
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
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

4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
CID 55232940
[3-[(2-amino-5-methoxyanilino)methyl]phenyl]methanol
CID 107231944
2-methoxy-4-N-[(4-methylsulfonylphenyl)methyl]benzene-1,4-diamine
CID 63676679
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
3,4-dimethoxy-N-[(3-nitrophenyl)methyl]aniline
CID 28575174
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
CID 115355459
3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 107232132
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
CID 107231766

Frequently Asked Questions

What is the IUPAC name of [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol (CID 107231702) is [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol is COc1cc(NCc2cccc(CO)c2)ccc1N.
What is the InChIKey of [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol?
The InChIKey is DZUSTDVJFWAHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-15-8-13(5-6-14(15)16)17-9-11-3-2-4-12(7-11)10-18/h2-8,17-18H,9-10,16H2,1H3.
What are the key properties of [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol?
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol has a molecular weight of 258.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107231702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).