4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine

C19H25NO2 — CID 117482452

IUPAC4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
SMILESCCOc1cccc(CCCCN)c1OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-2-21-18-13-8-12-17(11-6-7-14-20)19(18)22-15-16-9-4-3-5-10-16/h3-5,8-10,12-13H,2,6-7,11,14-15,20H2,1H3
InChIKeyIIDJLEYEHWAJOW-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.95
Rot. Bonds9

About 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine

4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine (PubChem CID 117482452) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
PubChem CID117482452
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
SMILESCCOc1cccc(CCCCN)c1OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-2-21-18-13-8-12-17(11-6-7-14-20)19(18)22-15-16-9-4-3-5-10-16/h3-5,8-10,12-13H,2,6-7,11,14-15,20H2,1H3
InChIKeyIIDJLEYEHWAJOW-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
CID 117482319
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine?
The IUPAC name of 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine (CID 117482452) is 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine is CCOc1cccc(CCCCN)c1OCc1ccccc1.
What is the InChIKey of 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine?
The InChIKey is IIDJLEYEHWAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-2-21-18-13-8-12-17(11-6-7-14-20)19(18)22-15-16-9-4-3-5-10-16/h3-5,8-10,12-13H,2,6-7,11,14-15,20H2,1H3.
What are the key properties of 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine?
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine is sourced from PubChem (CID 117482452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).