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

C14H21F2N — CID 82924989

IUPAC4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCc1ccc(F)c(F)c1)CNC(C)C
InChIInChI=1S/C14H21F2N/c1-10(2)17-9-11(3)4-5-12-6-7-13(15)14(16)8-12/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyTYYCABVLNGMQPP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.53
Rot. Bonds6

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

4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 82924989) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID82924989
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC Name4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCc1ccc(F)c(F)c1)CNC(C)C
InChIInChI=1S/C14H21F2N/c1-10(2)17-9-11(3)4-5-12-6-7-13(15)14(16)8-12/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyTYYCABVLNGMQPP-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.53
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
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
1-[4-[3-methyl-4-(propan-2-ylamino)butyl]phenyl]propan-2-one
CID 143513227
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665424
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 62576763

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 82924989) is 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine is CC(CCc1ccc(F)c(F)c1)CNC(C)C.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is TYYCABVLNGMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-10(2)17-9-11(3)4-5-12-6-7-13(15)14(16)8-12/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 82924989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).