1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine

C15H25FN2 — CID 113408528

IUPAC1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1ccc(C)cc1F
InChIInChI=1S/C15H25FN2/c1-5-18(6-2)11-13(4)17-10-14-8-7-12(3)9-15(14)16/h7-9,13,17H,5-6,10-11H2,1-4H3
InChIKeyZLPNLRHTVGTOHO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.95
Rot. Bonds7

About 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine

1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 113408528) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine
PubChem CID113408528
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1ccc(C)cc1F
InChIInChI=1S/C15H25FN2/c1-5-18(6-2)11-13(4)17-10-14-8-7-12(3)9-15(14)16/h7-9,13,17H,5-6,10-11H2,1-4H3
InChIKeyZLPNLRHTVGTOHO-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946054
3-[[1-(diethylamino)propan-2-ylamino]methyl]-4-fluorobenzoic acid
CID 107452709
1-N,1-N-diethyl-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 113408523
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
CID 113237519
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
CID 104868033
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
2-N-[(2-bromo-5-methoxyphenyl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 65324217

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine (CID 113408528) is 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine is CCN(CC)CC(C)NCc1ccc(C)cc1F.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is ZLPNLRHTVGTOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-18(6-2)11-13(4)17-10-14-8-7-12(3)9-15(14)16/h7-9,13,17H,5-6,10-11H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113408528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).