3-[(4-ethoxyphenyl)methylamino]propan-1-ol

C12H19NO2 — CID 7991761

IUPAC3-[(4-ethoxyphenyl)methylamino]propan-1-ol
SMILESCCOc1ccc(CNCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-2-15-12-6-4-11(5-7-12)10-13-8-3-9-14/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyVSCYXYZSNNKUFH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds7

About 3-[(4-ethoxyphenyl)methylamino]propan-1-ol

3-[(4-ethoxyphenyl)methylamino]propan-1-ol (PubChem CID 7991761) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylamino]propan-1-ol
PubChem CID7991761
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(4-ethoxyphenyl)methylamino]propan-1-ol
SMILESCCOc1ccc(CNCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-2-15-12-6-4-11(5-7-12)10-13-8-3-9-14/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyVSCYXYZSNNKUFH-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
N-[(4-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 55173586

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(4-ethoxyphenyl)methylamino]propan-1-ol (CID 7991761) is 3-[(4-ethoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylamino]propan-1-ol is CCOc1ccc(CNCCCO)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylamino]propan-1-ol?
The InChIKey is VSCYXYZSNNKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-15-12-6-4-11(5-7-12)10-13-8-3-9-14/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of 3-[(4-ethoxyphenyl)methylamino]propan-1-ol?
3-[(4-ethoxyphenyl)methylamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 7991761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).