N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine

C15H21F2N — CID 43081886

IUPACN-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N/c1-11(12-8-9-14(16)15(17)10-12)18-13-6-4-2-3-5-7-13/h8-11,13,18H,2-7H2,1H3
InChIKeyYCTMSVHWCHYNHV-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.34
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine

N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine (PubChem CID 43081886) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
PubChem CID43081886
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N/c1-11(12-8-9-14(16)15(17)10-12)18-13-6-4-2-3-5-7-13/h8-11,13,18H,2-7H2,1H3
InChIKeyYCTMSVHWCHYNHV-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
CID 29038584
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
CID 29038955
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
N-[(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]cyclohexanamine
CID 29038742
N-[(1S)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclohexanamine
CID 29038653
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine (CID 43081886) is N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine is CC(NC1CCCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine?
The InChIKey is YCTMSVHWCHYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(12-8-9-14(16)15(17)10-12)18-13-6-4-2-3-5-7-13/h8-11,13,18H,2-7H2,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine?
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine has a molecular weight of 253.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine is sourced from PubChem (CID 43081886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).