2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol

C14H22FNO2 — CID 106505969

IUPAC2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(CN)(CO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-11(2)18-8-7-14(9-16,10-17)12-3-5-13(15)6-4-12/h3-6,11,17H,7-10,16H2,1-2H3
InChIKeyIGDHAYIDDWDAGX-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.83
Rot. Bonds7

About 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol

2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol (PubChem CID 106505969) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
PubChem CID106505969
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(CN)(CO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-11(2)18-8-7-14(9-16,10-17)12-3-5-13(15)6-4-12/h3-6,11,17H,7-10,16H2,1-2H3
InChIKeyIGDHAYIDDWDAGX-UHFFFAOYSA-N
XLogP1.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
CID 106505989
2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
CID 106505955
2-(aminomethyl)-2-(4-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 106505936
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
CID 66060643
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-(2-bromophenyl)-2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79448106
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propan-2-yloxybutanoate
CID 106509496
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
CID 106507132
2-(4-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55015264

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol (CID 106505969) is 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol is CC(C)OCCC(CN)(CO)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol?
The InChIKey is IGDHAYIDDWDAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(2)18-8-7-14(9-16,10-17)12-3-5-13(15)6-4-12/h3-6,11,17H,7-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol?
2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 1.83, 7 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-propan-2-yloxybutan-1-ol is sourced from PubChem (CID 106505969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).