N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine

C14H23FN2 — CID 783899

IUPACN',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1ccccc1F
InChIInChI=1S/C14H23FN2/c1-4-17(5-2)11-10-16(3)12-13-8-6-7-9-14(13)15/h6-9H,4-5,10-12H2,1-3H3
InChIKeyAWFLSAKZHPWKOU-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.60
Rot. Bonds7

About N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine

N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 783899) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID783899
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1ccccc1F
InChIInChI=1S/C14H23FN2/c1-4-17(5-2)11-10-16(3)12-13-8-6-7-9-14(13)15/h6-9H,4-5,10-12H2,1-3H3
InChIKeyAWFLSAKZHPWKOU-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
3-[(2-fluorophenyl)methyl-methylamino]propanamide
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2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine
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N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
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N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
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N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
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ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
CID 143246363

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine (CID 783899) is N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine is CCN(CC)CCN(C)Cc1ccccc1F.
What is the InChIKey of N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is AWFLSAKZHPWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-17(5-2)11-10-16(3)12-13-8-6-7-9-14(13)15/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 783899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).