2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol

C14H22FNO2 — CID 61246719

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1ccc(CNC(CO)CC(C)C)cc1F
InChIInChI=1S/C14H22FNO2/c1-10(2)6-12(9-17)16-8-11-4-5-14(18-3)13(15)7-11/h4-5,7,10,12,16-17H,6,8-9H2,1-3H3
InChIKeyPTJPJMAFJSCURR-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.33
Rot. Bonds7

About 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol

2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol (PubChem CID 61246719) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol
PubChem CID61246719
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1ccc(CNC(CO)CC(C)C)cc1F
InChIInChI=1S/C14H22FNO2/c1-10(2)6-12(9-17)16-8-11-4-5-14(18-3)13(15)7-11/h4-5,7,10,12,16-17H,6,8-9H2,1-3H3
InChIKeyPTJPJMAFJSCURR-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65025834
3-[(3-fluoro-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 111448490
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxypropan-2-amine
CID 106180890
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899852
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
4-[(3-fluoro-4-methoxyphenyl)methylamino]-2-methylbutanoic acid
CID 115220712
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol (CID 61246719) is 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol is COc1ccc(CNC(CO)CC(C)C)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
The InChIKey is PTJPJMAFJSCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(2)6-12(9-17)16-8-11-4-5-14(18-3)13(15)7-11/h4-5,7,10,12,16-17H,6,8-9H2,1-3H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).