N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine

C18H23FN2 — CID 63321890

IUPACN'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
SMILESCN(CCCC(N)c1ccccc1)Cc1ccccc1F
InChIInChI=1S/C18H23FN2/c1-21(14-16-10-5-6-11-17(16)19)13-7-12-18(20)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-14,20H2,1H3
InChIKeyCDJSBBMIFCHRCZ-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.74
Rot. Bonds7

About N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine

N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine (PubChem CID 63321890) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
PubChem CID63321890
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
SMILESCN(CCCC(N)c1ccccc1)Cc1ccccc1F
InChIInChI=1S/C18H23FN2/c1-21(14-16-10-5-6-11-17(16)19)13-7-12-18(20)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-14,20H2,1H3
InChIKeyCDJSBBMIFCHRCZ-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203931
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine (CID 63321890) is N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine is CN(CCCC(N)c1ccccc1)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine?
The InChIKey is CDJSBBMIFCHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-21(14-16-10-5-6-11-17(16)19)13-7-12-18(20)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-14,20H2,1H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine?
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 63321890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).