1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine

C15H23FN2 — CID 65383824

IUPAC1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(CN)(Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-4-3-8-15(11-17,9-7-12)18-14-6-2-5-13(16)10-14/h2,5-6,10,12,18H,3-4,7-9,11,17H2,1H3
InChIKeyFWDYWSMMQJVQER-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.54
Rot. Bonds3

About 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine

1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine (PubChem CID 65383824) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
PubChem CID65383824
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(CN)(Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-4-3-8-15(11-17,9-7-12)18-14-6-2-5-13(16)10-14/h2,5-6,10,12,18H,3-4,7-9,11,17H2,1H3
InChIKeyFWDYWSMMQJVQER-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776358
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
CID 65382978
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
ethyl 1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylate
CID 65084951
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 105463150
1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
CID 63767680
ethyl 1-(3-fluoroanilino)-3-methylcyclohexane-1-carboxylate
CID 60993314
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine (CID 65383824) is 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(CN)(Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is FWDYWSMMQJVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-4-3-8-15(11-17,9-7-12)18-14-6-2-5-13(16)10-14/h2,5-6,10,12,18H,3-4,7-9,11,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine?
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65383824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).