N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine

C15H23FN2 — CID 79516525

IUPACN-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
SMILESCN(c1cccc(F)c1CN)C1CCCCCC1
InChIInChI=1S/C15H23FN2/c1-18(12-7-4-2-3-5-8-12)15-10-6-9-14(16)13(15)11-17/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyMXWCUHXYGAUIDD-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.44
Rot. Bonds3

About N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine

N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine (PubChem CID 79516525) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
PubChem CID79516525
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
SMILESCN(c1cccc(F)c1CN)C1CCCCCC1
InChIInChI=1S/C15H23FN2/c1-18(12-7-4-2-3-5-8-12)15-10-6-9-14(16)13(15)11-17/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyMXWCUHXYGAUIDD-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine (CID 79516525) is N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine is CN(c1cccc(F)c1CN)C1CCCCCC1.
What is the InChIKey of N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
The InChIKey is MXWCUHXYGAUIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(12-7-4-2-3-5-8-12)15-10-6-9-14(16)13(15)11-17/h6,9-10,12H,2-5,7-8,11,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine has a molecular weight of 250.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 79516525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).