N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine

C17H25F2N — CID 65091754

IUPACN-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H25F2N/c1-12(2)14-4-3-5-15(8-7-14)20-11-13-6-9-16(18)17(19)10-13/h6,9-10,12,14-15,20H,3-5,7-8,11H2,1-2H3
InChIKeyRPKXNDONEPDIIX-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.66
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine

N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091754) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091754
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H25F2N/c1-12(2)14-4-3-5-15(8-7-14)20-11-13-6-9-16(18)17(19)10-13/h6,9-10,12,14-15,20H,3-5,7-8,11H2,1-2H3
InChIKeyRPKXNDONEPDIIX-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine (CID 65091754) is N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is RPKXNDONEPDIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-12(2)14-4-3-5-15(8-7-14)20-11-13-6-9-16(18)17(19)10-13/h6,9-10,12,14-15,20H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).