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

C14H21F2N — CID 64664987

IUPAC4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1ccc(F)cc1F
InChIInChI=1S/C14H21F2N/c1-3-8-17-10-11(2)4-5-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyFHYIZKVOCBEPSM-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.53
Rot. Bonds7

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

4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 64664987) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID64664987
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1ccc(F)cc1F
InChIInChI=1S/C14H21F2N/c1-3-8-17-10-11(2)4-5-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyFHYIZKVOCBEPSM-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
2-[[2-(2,4-difluorophenyl)ethylamino]methyl]-3-methylbutanenitrile
CID 115254633
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65304342
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine (CID 64664987) is 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine is CCCNCC(C)CCc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is FHYIZKVOCBEPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-8-17-10-11(2)4-5-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine?
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 64664987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).