2-[(2,4-difluorophenyl)methyl]pentan-1-amine

C12H17F2N — CID 62505725

IUPAC2-[(2,4-difluorophenyl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-2-3-9(8-15)6-10-4-5-11(13)7-12(10)14/h4-5,7,9H,2-3,6,8,15H2,1H3
InChIKeyNMCDABUWDZHFRV-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2,4-difluorophenyl)methyl]pentan-1-amine

2-[(2,4-difluorophenyl)methyl]pentan-1-amine (PubChem CID 62505725) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]pentan-1-amine
PubChem CID62505725
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[(2,4-difluorophenyl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-2-3-9(8-15)6-10-4-5-11(13)7-12(10)14/h4-5,7,9H,2-3,6,8,15H2,1H3
InChIKeyNMCDABUWDZHFRV-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(2,4-difluorophenyl)butan-2-ylhydrazine
CID 105201098
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(2-ethyl-5-fluorophenyl)butan-1-amine
CID 55268868

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]pentan-1-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]pentan-1-amine (CID 62505725) is 2-[(2,4-difluorophenyl)methyl]pentan-1-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]pentan-1-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]pentan-1-amine is CCCC(CN)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]pentan-1-amine?
The InChIKey is NMCDABUWDZHFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-2-3-9(8-15)6-10-4-5-11(13)7-12(10)14/h4-5,7,9H,2-3,6,8,15H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]pentan-1-amine?
2-[(2,4-difluorophenyl)methyl]pentan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 62505725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).