1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C15H22F2N2 — CID 79066664

IUPAC1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C15H22F2N2/c1-19(2)15(8-4-3-5-9-15)14(18)11-6-7-12(16)13(17)10-11/h6-7,10,14H,3-5,8-9,18H2,1-2H3
InChIKeyCYSNCQUMUSLEOG-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds3

About 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066664) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066664
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C15H22F2N2/c1-19(2)15(8-4-3-5-9-15)14(18)11-6-7-12(16)13(17)10-11/h6-7,10,14H,3-5,8-9,18H2,1-2H3
InChIKeyCYSNCQUMUSLEOG-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361
1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065985
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79067030
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212
[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol
CID 79069796

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066664) is 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)c2ccc(F)c(F)c2)CCCCC1.
What is the InChIKey of 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is CYSNCQUMUSLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(2)15(8-4-3-5-9-15)14(18)11-6-7-12(16)13(17)10-11/h6-7,10,14H,3-5,8-9,18H2,1-2H3.
What are the key properties of 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).