1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine

C14H22F2N2 — CID 81490420

IUPAC1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-10(2)14(17)6-7-18(3)9-11-4-5-12(15)8-13(11)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyZUQKROKVSKAKDL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.77
Rot. Bonds6

About 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 81490420) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID81490420
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-10(2)14(17)6-7-18(3)9-11-4-5-12(15)8-13(11)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyZUQKROKVSKAKDL-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203931
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
CID 116606369
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 114859419
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine (CID 81490420) is 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1ccc(F)cc1F.
What is the InChIKey of 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is ZUQKROKVSKAKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)14(17)6-7-18(3)9-11-4-5-12(15)8-13(11)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3.
What are the key properties of 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 81490420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).