2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol

C14H22FNO2 — CID 106505989

IUPAC2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
SMILESCCCOCCC(CN)(CO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-2-8-18-9-7-14(10-16,11-17)12-3-5-13(15)6-4-12/h3-6,17H,2,7-11,16H2,1H3
InChIKeyOQZZVQSHVRWQCB-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.83
Rot. Bonds8

About 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol

2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol (PubChem CID 106505989) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
PubChem CID106505989
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
SMILESCCCOCCC(CN)(CO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-2-8-18-9-7-14(10-16,11-17)12-3-5-13(15)6-4-12/h3-6,17H,2,7-11,16H2,1H3
InChIKeyOQZZVQSHVRWQCB-UHFFFAOYSA-N
XLogP1.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.83
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

2-(aminomethyl)-2-(4-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 106505936
2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
CID 106505969
2-(aminomethyl)-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 106508658
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
CID 106508588
2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
CID 106505955
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
CID 106507132
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
methyl 2-(aminomethyl)-4-butoxy-2-(4-fluorophenyl)butanoate
CID 106490844
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
1-[1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)butan-2-yl]-4-fluorobenzene
CID 79455898
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
CID 106506958

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol (CID 106505989) is 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol is CCCOCCC(CN)(CO)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol?
The InChIKey is OQZZVQSHVRWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-2-8-18-9-7-14(10-16,11-17)12-3-5-13(15)6-4-12/h3-6,17H,2,7-11,16H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol?
2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol is sourced from PubChem (CID 106505989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).