[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone

C15H19F2NO — CID 116602023

IUPAC[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
SMILESNCC1(C(=O)c2ccc(F)c(F)c2)CCCCCC1
InChIInChI=1S/C15H19F2NO/c16-12-6-5-11(9-13(12)17)14(19)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2
InChIKeyOTLDQXXMBFVPMT-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.45
Rot. Bonds3

About [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone

[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone (PubChem CID 116602023) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
PubChem CID116602023
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
SMILESNCC1(C(=O)c2ccc(F)c(F)c2)CCCCCC1
InChIInChI=1S/C15H19F2NO/c16-12-6-5-11(9-13(12)17)14(19)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2
InChIKeyOTLDQXXMBFVPMT-UHFFFAOYSA-N
XLogP3.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 115267174
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
[4-(aminomethyl)oxan-4-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291122
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone (CID 116602023) is [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone is NCC1(C(=O)c2ccc(F)c(F)c2)CCCCCC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone?
The InChIKey is OTLDQXXMBFVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-6-5-11(9-13(12)17)14(19)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2.
What are the key properties of [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone?
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone has a molecular weight of 267.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 116602023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).