N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine

C15H22ClF2NO — CID 115325198

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H22ClF2NO/c1-11(2)5-3-4-8-19-10-12-9-13(16)6-7-14(12)20-15(17)18/h6-7,9,11,15,19H,3-5,8,10H2,1-2H3
InChIKeyAVTGGXPGDHJROZ-UHFFFAOYSA-N
MW305.80 g/mol
LogP4.86
Rot. Bonds9

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine (PubChem CID 115325198) has the molecular formula C15H22ClF2NO and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
PubChem CID115325198
Molecular FormulaC15H22ClF2NO
Molecular Weight305.80 g/mol
Exact Mass305.14
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H22ClF2NO/c1-11(2)5-3-4-8-19-10-12-9-13(16)6-7-14(12)20-15(17)18/h6-7,9,11,15,19H,3-5,8,10H2,1-2H3
InChIKeyAVTGGXPGDHJROZ-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 43425082
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]heptan-2-amine
CID 43778017
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
N-[(2-bromo-4-chlorophenyl)methyl]-5-methylhexan-1-amine
CID 115324662
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715328

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine (CID 115325198) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine is CC(C)CCCCNCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine?
The InChIKey is AVTGGXPGDHJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF2NO/c1-11(2)5-3-4-8-19-10-12-9-13(16)6-7-14(12)20-15(17)18/h6-7,9,11,15,19H,3-5,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine has a molecular weight of 305.80 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine is sourced from PubChem (CID 115325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).