1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C14H23FN2 — CID 43205416

IUPAC1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCc1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-11(2)14(17(3)4)10-16-9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyXTEWGRKORRDGHU-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.50
Rot. Bonds6

About 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43205416) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43205416
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCc1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-11(2)14(17(3)4)10-16-9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyXTEWGRKORRDGHU-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 18804091
4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
CID 43205412
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020
1-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81002469
2-N,2-N,3-trimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]butane-1,2-diamine
CID 63051526
1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 110826343
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43205416) is 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)C(CNCc1ccc(F)cc1)N(C)C.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is XTEWGRKORRDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)14(17(3)4)10-16-9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43205416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).