N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine

C16H25FN2 — CID 64770644

IUPACN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C16H25FN2/c1-12-5-3-4-6-16(12)19(2)11-14-9-15(17)8-7-13(14)10-18/h7-9,12,16H,3-6,10-11,18H2,1-2H3
InChIKeyIQTZQZFYZPLEIR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.29
Rot. Bonds4

About N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 64770644) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID64770644
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C16H25FN2/c1-12-5-3-4-6-16(12)19(2)11-14-9-15(17)8-7-13(14)10-18/h7-9,12,16H,3-6,10-11,18H2,1-2H3
InChIKeyIQTZQZFYZPLEIR-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
4-fluoro-2-[[methyl-(2-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 64763943
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
N-[(5-fluoro-2-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 112841310
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 113295421
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 64768719
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637410
6-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 47164420

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 64770644) is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1cc(F)ccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is IQTZQZFYZPLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-5-3-4-6-16(12)19(2)11-14-9-15(17)8-7-13(14)10-18/h7-9,12,16H,3-6,10-11,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64770644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).