N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine

C15H23F2NO — CID 62599636

IUPACN-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-11(2)4-5-12(3)18-8-9-19-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyJZRIBXBXPXYHNT-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.76
Rot. Bonds8

About N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine

N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine (PubChem CID 62599636) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
PubChem CID62599636
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-11(2)4-5-12(3)18-8-9-19-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyJZRIBXBXPXYHNT-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.76
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

5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-2-amine
CID 62598050
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
5-methyl-N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-2-amine
CID 62582877
3-[2-(5-methylhexan-2-ylamino)ethoxy]benzoic acid
CID 103252192
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63515560
N-[2-(4-methylphenoxy)ethyl]heptan-2-amine
CID 60688116
N'-butan-2-yl-N-[4-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54808517

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine (CID 62599636) is N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCOc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine?
The InChIKey is JZRIBXBXPXYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-11(2)4-5-12(3)18-8-9-19-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine?
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 62599636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).