[4-[(2-aminoanilino)methyl]phenyl]methanol

C14H16N2O — CID 107231520

IUPAC[4-[(2-aminoanilino)methyl]phenyl]methanol
SMILESNc1ccccc1NCc1ccc(CO)cc1
InChIInChI=1S/C14H16N2O/c15-13-3-1-2-4-14(13)16-9-11-5-7-12(10-17)8-6-11/h1-8,16-17H,9-10,15H2
InChIKeyLZVNENMMZGQVSP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.37
Rot. Bonds4

About [4-[(2-aminoanilino)methyl]phenyl]methanol

[4-[(2-aminoanilino)methyl]phenyl]methanol (PubChem CID 107231520) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [4-[(2-aminoanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-aminoanilino)methyl]phenyl]methanol
PubChem CID107231520
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[4-[(2-aminoanilino)methyl]phenyl]methanol
SMILESNc1ccccc1NCc1ccc(CO)cc1
InChIInChI=1S/C14H16N2O/c15-13-3-1-2-4-14(13)16-9-11-5-7-12(10-17)8-6-11/h1-8,16-17H,9-10,15H2
InChIKeyLZVNENMMZGQVSP-UHFFFAOYSA-N
XLogP2.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 15680100
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
CID 115124436
N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
CID 110006672
[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol
CID 110006470
[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006746

Frequently Asked Questions

What is the IUPAC name of [4-[(2-aminoanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-aminoanilino)methyl]phenyl]methanol (CID 107231520) is [4-[(2-aminoanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-aminoanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-aminoanilino)methyl]phenyl]methanol is Nc1ccccc1NCc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-aminoanilino)methyl]phenyl]methanol?
The InChIKey is LZVNENMMZGQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-13-3-1-2-4-14(13)16-9-11-5-7-12(10-17)8-6-11/h1-8,16-17H,9-10,15H2.
What are the key properties of [4-[(2-aminoanilino)methyl]phenyl]methanol?
[4-[(2-aminoanilino)methyl]phenyl]methanol has a molecular weight of 228.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminoanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107231520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).