3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol

C14H22FNO — CID 103949846

IUPAC3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,3)13(7-8-17)16-10-11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,7-8,10H2,1-3H3
InChIKeyHNKQCRQRZZQAMV-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.71
Rot. Bonds5

About 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol

3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103949846) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103949846
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,3)13(7-8-17)16-10-11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,7-8,10H2,1-3H3
InChIKeyHNKQCRQRZZQAMV-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 113357124
3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
CID 104925953
4-fluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]phenol
CID 114176827
3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628067
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103949846) is 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is HNKQCRQRZZQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)13(7-8-17)16-10-11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,7-8,10H2,1-3H3.
What are the key properties of 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103949846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).