N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine

C16H25FN2 — CID 61444590

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)Cc2ccc(CN)cc2F)C1
InChIInChI=1S/C16H25FN2/c1-12-4-3-5-15(8-12)19(2)11-14-7-6-13(10-18)9-16(14)17/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3
InChIKeyXAPTYRYTJNDRIK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.29
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine (PubChem CID 61444590) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
PubChem CID61444590
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)Cc2ccc(CN)cc2F)C1
InChIInChI=1S/C16H25FN2/c1-12-4-3-5-15(8-12)19(2)11-14-7-6-13(10-18)9-16(14)17/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3
InChIKeyXAPTYRYTJNDRIK-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

3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904288
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073646
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 102768407
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61444227

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine (CID 61444590) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine is CC1CCCC(N(C)Cc2ccc(CN)cc2F)C1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
The InChIKey is XAPTYRYTJNDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-4-3-5-15(8-12)19(2)11-14-7-6-13(10-18)9-16(14)17/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-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-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 61444590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).