3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine

C14H22FN — CID 117320871

IUPAC3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCc1cc(F)c(C(C)C)cc1C(C)CCN
InChIInChI=1S/C14H22FN/c1-9(2)12-8-13(10(3)5-6-16)11(4)7-14(12)15/h7-10H,5-6,16H2,1-4H3
InChIKeyMODPJYJSYXOGAN-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine

3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 117320871) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
PubChem CID117320871
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCc1cc(F)c(C(C)C)cc1C(C)CCN
InChIInChI=1S/C14H22FN/c1-9(2)12-8-13(10(3)5-6-16)11(4)7-14(12)15/h7-10H,5-6,16H2,1-4H3
InChIKeyMODPJYJSYXOGAN-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
CID 176665151
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
3-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288664
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
3-(2-methyl-4-methylsulfanylphenyl)butan-1-amine
CID 117299558
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine (CID 117320871) is 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine is Cc1cc(F)c(C(C)C)cc1C(C)CCN.
What is the InChIKey of 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is MODPJYJSYXOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-9(2)12-8-13(10(3)5-6-16)11(4)7-14(12)15/h7-10H,5-6,16H2,1-4H3.
What are the key properties of 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine?
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 117320871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).