N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

C15H21F2NO — CID 43780431

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10(11-7-8-12(16)13(17)9-11)18-14-5-3-4-6-15(14)19-2/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeyVAQQSSHJOWLKIN-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43780431) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43780431
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10(11-7-8-12(16)13(17)9-11)18-14-5-3-4-6-15(14)19-2/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeyVAQQSSHJOWLKIN-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 43780431) is N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is VAQQSSHJOWLKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(11-7-8-12(16)13(17)9-11)18-14-5-3-4-6-15(14)19-2/h7-10,14-15,18H,3-6H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43780431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).