5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine

C16H26FN — CID 79735912

IUPAC5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCc1cc(CCC(C)CCNC(C)C)ccc1F
InChIInChI=1S/C16H26FN/c1-12(2)18-10-9-13(3)5-6-15-7-8-16(17)14(4)11-15/h7-8,11-13,18H,5-6,9-10H2,1-4H3
InChIKeyAOWRRXAONVZABG-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.09
Rot. Bonds7

About 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine

5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 79735912) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
PubChem CID79735912
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCc1cc(CCC(C)CCNC(C)C)ccc1F
InChIInChI=1S/C16H26FN/c1-12(2)18-10-9-13(3)5-6-15-7-8-16(17)14(4)11-15/h7-8,11-13,18H,5-6,9-10H2,1-4H3
InChIKeyAOWRRXAONVZABG-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine (CID 79735912) is 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine is Cc1cc(CCC(C)CCNC(C)C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is AOWRRXAONVZABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12(2)18-10-9-13(3)5-6-15-7-8-16(17)14(4)11-15/h7-8,11-13,18H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79735912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).