N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine

C14H23FN2 — CID 115202640

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
SMILESCc1cc(CN(C)CC(C)CCN)ccc1F
InChIInChI=1S/C14H23FN2/c1-11(6-7-16)9-17(3)10-13-4-5-14(15)12(2)8-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyWGAQLSDYQJGMIQ-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine

N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine (PubChem CID 115202640) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
PubChem CID115202640
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
SMILESCc1cc(CN(C)CC(C)CCN)ccc1F
InChIInChI=1S/C14H23FN2/c1-11(6-7-16)9-17(3)10-13-4-5-14(15)12(2)8-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyWGAQLSDYQJGMIQ-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202649
2-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254547
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
N,2-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butane-1,4-diamine
CID 115202689
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
5-[[(4-amino-2-methylbutyl)-methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115202696

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine (CID 115202640) is N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine is Cc1cc(CN(C)CC(C)CCN)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
The InChIKey is WGAQLSDYQJGMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(6-7-16)9-17(3)10-13-4-5-14(15)12(2)8-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).