2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol

C15H24FNO3 — CID 106507132

IUPAC2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
SMILESCOCCCOCCC(CN)(CO)c1cccc(F)c1
InChIInChI=1S/C15H24FNO3/c1-19-7-3-8-20-9-6-15(11-17,12-18)13-4-2-5-14(16)10-13/h2,4-5,10,18H,3,6-9,11-12,17H2,1H3
InChIKeyMVNSKPABUBRPTH-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.46
Rot. Bonds10

About 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol

2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol (PubChem CID 106507132) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
PubChem CID106507132
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
SMILESCOCCCOCCC(CN)(CO)c1cccc(F)c1
InChIInChI=1S/C15H24FNO3/c1-19-7-3-8-20-9-6-15(11-17,12-18)13-4-2-5-14(16)10-13/h2,4-5,10,18H,3,6-9,11-12,17H2,1H3
InChIKeyMVNSKPABUBRPTH-UHFFFAOYSA-N
XLogP1.46
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol 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-(aminomethyl)-2-(4-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 106505936
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
CID 106508588
2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
CID 106505989
2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol
CID 112592515
1-[1-bromo-2-(bromomethyl)-4-(3-methoxypropoxy)butan-2-yl]-3-methylbenzene
CID 103185131
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507141
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
2-(aminomethyl)-4-(3-methoxypropoxy)-2-phenylbutanoic acid
CID 106489385
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propoxybutanoate
CID 106509489

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol (CID 106507132) is 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol is COCCCOCCC(CN)(CO)c1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol?
The InChIKey is MVNSKPABUBRPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-19-7-3-8-20-9-6-15(11-17,12-18)13-4-2-5-14(16)10-13/h2,4-5,10,18H,3,6-9,11-12,17H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol?
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol is sourced from PubChem (CID 106507132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).