5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline

C15H23FN2 — CID 64768605

IUPAC5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCC(N(C)Cc2ccc(F)cc2N)CC1
InChIInChI=1S/C15H23FN2/c1-11-3-7-14(8-4-11)18(2)10-12-5-6-13(16)9-15(12)17/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyYZDHYBHFZNVKFY-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.42
Rot. Bonds3

About 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline

5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline (PubChem CID 64768605) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
PubChem CID64768605
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCC(N(C)Cc2ccc(F)cc2N)CC1
InChIInChI=1S/C15H23FN2/c1-11-3-7-14(8-4-11)18(2)10-12-5-6-13(16)9-15(12)17/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyYZDHYBHFZNVKFY-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
4-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]benzoic acid
CID 107907796
N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 62376622
2-[[cyclopropyl(methyl)amino]methyl]-5-fluorobenzenecarbothioamide
CID 63292626
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
2-methyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 61439450
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
CID 54968871
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 55069371
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 102768407

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline (CID 64768605) is 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline is CC1CCC(N(C)Cc2ccc(F)cc2N)CC1.
What is the InChIKey of 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is YZDHYBHFZNVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-3-7-14(8-4-11)18(2)10-12-5-6-13(16)9-15(12)17/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 64768605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).