N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine

C14H21F2N — CID 113303770

IUPACN-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(CNCC(F)F)c1ccccc1
InChIInChI=1S/C14H21F2N/c1-3-11(2)13(9-17-10-14(15)16)12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3
InChIKeySIWNELYJBZLXOG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.67
Rot. Bonds7

About N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine

N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine (PubChem CID 113303770) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine
PubChem CID113303770
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC NameN-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(CNCC(F)F)c1ccccc1
InChIInChI=1S/C14H21F2N/c1-3-11(2)13(9-17-10-14(15)16)12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3
InChIKeySIWNELYJBZLXOG-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
(2S)-3-phenylpentan-2-ol
CID 45048673
3-methyl-5-phenylheptan-4-amine
CID 105017445
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
CID 79443669
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine (CID 113303770) is N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine is CCC(C)C(CNCC(F)F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine?
The InChIKey is SIWNELYJBZLXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-11(2)13(9-17-10-14(15)16)12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine?
N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 113303770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).