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

C14H19F2NO — CID 62223825

IUPACN-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyVNQYQECXGBJDMX-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.01
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine (PubChem CID 62223825) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
PubChem CID62223825
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyVNQYQECXGBJDMX-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine (CID 62223825) is N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine?
The InChIKey is VNQYQECXGBJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h6-8,13-14,17H,2-5,9H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine?
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 62223825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).