1-(3,4-difluorophenyl)-3-methylheptan-2-amine

C14H21F2N — CID 114246498

IUPAC1-(3,4-difluorophenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2N/c1-3-4-5-10(2)14(17)9-11-6-7-12(15)13(16)8-11/h6-8,10,14H,3-5,9,17H2,1-2H3
InChIKeyRREAJARVUAQGIP-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.66
Rot. Bonds6

About 1-(3,4-difluorophenyl)-3-methylheptan-2-amine

1-(3,4-difluorophenyl)-3-methylheptan-2-amine (PubChem CID 114246498) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-methylheptan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-methylheptan-2-amine
PubChem CID114246498
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(3,4-difluorophenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2N/c1-3-4-5-10(2)14(17)9-11-6-7-12(15)13(16)8-11/h6-8,10,14H,3-5,9,17H2,1-2H3
InChIKeyRREAJARVUAQGIP-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-3-methylheptan-2-amine
CID 114246295
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
CID 83155125
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
[1-(3,4-difluorophenyl)-4-ethyloctan-2-yl]hydrazine
CID 105288434
1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
CID 114246520
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 63786416
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-methylheptan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-methylheptan-2-amine (CID 114246498) is 1-(3,4-difluorophenyl)-3-methylheptan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-methylheptan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-methylheptan-2-amine is CCCCC(C)C(N)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-methylheptan-2-amine?
The InChIKey is RREAJARVUAQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-4-5-10(2)14(17)9-11-6-7-12(15)13(16)8-11/h6-8,10,14H,3-5,9,17H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-methylheptan-2-amine?
1-(3,4-difluorophenyl)-3-methylheptan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-methylheptan-2-amine is sourced from PubChem (CID 114246498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).