N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine

C15H23FN2 — CID 64768656

IUPACN-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1ccc(N)cc1F)C1CCCCCC1
InChIInChI=1S/C15H23FN2/c1-18(14-6-4-2-3-5-7-14)11-12-8-9-13(17)10-15(12)16/h8-10,14H,2-7,11,17H2,1H3
InChIKeyVBJNCIZWNZACIA-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.56
Rot. Bonds3

About N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine

N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine (PubChem CID 64768656) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
PubChem CID64768656
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1ccc(N)cc1F)C1CCCCCC1
InChIInChI=1S/C15H23FN2/c1-18(14-6-4-2-3-5-7-14)11-12-8-9-13(17)10-15(12)16/h8-10,14H,2-7,11,17H2,1H3
InChIKeyVBJNCIZWNZACIA-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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

3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
[4-[[cyclopentyl(methyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970476
2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine
CID 89199659
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine (CID 64768656) is N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine is CN(Cc1ccc(N)cc1F)C1CCCCCC1.
What is the InChIKey of N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine?
The InChIKey is VBJNCIZWNZACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(14-6-4-2-3-5-7-14)11-12-8-9-13(17)10-15(12)16/h8-10,14H,2-7,11,17H2,1H3.
What are the key properties of N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine?
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine has a molecular weight of 250.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 64768656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).