1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine

C14H21F2N — CID 43496303

IUPAC1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2N/c1-4-7-17-14(8-10(2)3)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyGIMQDQAGWQQNKR-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.05
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine

1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 43496303) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID43496303
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2N/c1-4-7-17-14(8-10(2)3)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyGIMQDQAGWQQNKR-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(4-bromo-3-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 115781989
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102753611

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine (CID 43496303) is 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is GIMQDQAGWQQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-7-17-14(8-10(2)3)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine?
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 43496303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).