4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C16H26FN — CID 105375543

IUPAC4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc(F)cc1CCC(C)CNCC(C)C
InChIInChI=1S/C16H26FN/c1-12(2)10-18-11-13(3)5-7-15-9-16(17)8-6-14(15)4/h6,8-9,12-13,18H,5,7,10-11H2,1-4H3
InChIKeyLBTJCMOBDPYOJC-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.95
Rot. Bonds7

About 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 105375543) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID105375543
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc(F)cc1CCC(C)CNCC(C)C
InChIInChI=1S/C16H26FN/c1-12(2)10-18-11-13(3)5-7-15-9-16(17)8-6-14(15)4/h6,8-9,12-13,18H,5,7,10-11H2,1-4H3
InChIKeyLBTJCMOBDPYOJC-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
CID 105374706
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666270
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 105376275
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141
5-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115485089

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 105375543) is 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is Cc1ccc(F)cc1CCC(C)CNCC(C)C.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is LBTJCMOBDPYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12(2)10-18-11-13(3)5-7-15-9-16(17)8-6-14(15)4/h6,8-9,12-13,18H,5,7,10-11H2,1-4H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 105375543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).