1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol

C15H18N2O2 — CID 23437244

IUPAC1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol
SMILESCC(O)Oc1ccc(CNc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O2/c1-11(18)19-15-8-2-12(3-9-15)10-17-14-6-4-13(16)5-7-14/h2-9,11,17-18H,10,16H2,1H3
InChIKeyUOBSQFJQDCEYCT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol

1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol (PubChem CID 23437244) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol
PubChem CID23437244
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol
SMILESCC(O)Oc1ccc(CNc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O2/c1-11(18)19-15-8-2-12(3-9-15)10-17-14-6-4-13(16)5-7-14/h2-9,11,17-18H,10,16H2,1H3
InChIKeyUOBSQFJQDCEYCT-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
N-[(4-butan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 54796354
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
4-[[4-(oxan-4-yloxy)anilino]methyl]aniline
CID 59230554
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine
CID 115212393
N-[(4-butan-2-yloxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 46736287

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol?
The IUPAC name of 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol (CID 23437244) is 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol.
What is the SMILES notation for 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol?
The canonical SMILES for 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol is CC(O)Oc1ccc(CNc2ccc(N)cc2)cc1.
What is the InChIKey of 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol?
The InChIKey is UOBSQFJQDCEYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)19-15-8-2-12(3-9-15)10-17-14-6-4-13(16)5-7-14/h2-9,11,17-18H,10,16H2,1H3.
What are the key properties of 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol?
1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol is sourced from PubChem (CID 23437244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).