[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol

C17H21NO2 — CID 110006558

IUPAC[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
SMILESCCOc1ccc(NCc2ccc(CO)cc2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-3-20-16-8-9-17(13(2)10-16)18-11-14-4-6-15(12-19)7-5-14/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyQDYNNILSQIUQRT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.50
Rot. Bonds6

About [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol

[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol (PubChem CID 110006558) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
PubChem CID110006558
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
SMILESCCOc1ccc(NCc2ccc(CO)cc2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-3-20-16-8-9-17(13(2)10-16)18-11-14-4-6-15(12-19)7-5-14/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyQDYNNILSQIUQRT-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
N-[(3-chloro-5-fluorophenyl)methyl]-4-ethoxy-2-methylaniline
CID 114452686
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol (CID 110006558) is [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol is CCOc1ccc(NCc2ccc(CO)cc2)c(C)c1.
What is the InChIKey of [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol?
The InChIKey is QDYNNILSQIUQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-16-8-9-17(13(2)10-16)18-11-14-4-6-15(12-19)7-5-14/h4-10,18-19H,3,11-12H2,1-2H3.
What are the key properties of [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol?
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 110006558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).