N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine

C18H31FN2 — CID 58597811

IUPACN'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
SMILESCC(C)CCCCN(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C18H31FN2/c1-16(2)9-7-8-12-21(14-13-20(3)4)15-17-10-5-6-11-18(17)19/h5-6,10-11,16H,7-9,12-15H2,1-4H3
InChIKeyFBCJRWNIHOULFG-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.02
Rot. Bonds10

About N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine

N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine (PubChem CID 58597811) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
PubChem CID58597811
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
SMILESCC(C)CCCCN(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C18H31FN2/c1-16(2)9-7-8-12-21(14-13-20(3)4)15-17-10-5-6-11-18(17)19/h5-6,10-11,16H,7-9,12-15H2,1-4H3
InChIKeyFBCJRWNIHOULFG-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 6425660
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CID 82327791
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112508
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
CID 61412776
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
2-[[bis(3-methylbutyl)amino]methyl]phenol
CID 107871853

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine (CID 58597811) is N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine is CC(C)CCCCN(CCN(C)C)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine?
The InChIKey is FBCJRWNIHOULFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-16(2)9-7-8-12-21(14-13-20(3)4)15-17-10-5-6-11-18(17)19/h5-6,10-11,16H,7-9,12-15H2,1-4H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine?
N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 58597811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).