N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine

C14H19ClF3NO — CID 103291891

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCOc1cccc(Cl)c1CNC(C)CCCC(F)(F)F
InChIInChI=1S/C14H19ClF3NO/c1-10(5-4-8-14(16,17)18)19-9-11-12(15)6-3-7-13(11)20-2/h3,6-7,10,19H,4-5,8-9H2,1-2H3
InChIKeyNRIVRPZPQODFFE-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.56
Rot. Bonds7

About N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine (PubChem CID 103291891) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
PubChem CID103291891
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCOc1cccc(Cl)c1CNC(C)CCCC(F)(F)F
InChIInChI=1S/C14H19ClF3NO/c1-10(5-4-8-14(16,17)18)19-9-11-12(15)6-3-7-13(11)20-2/h3,6-7,10,19H,4-5,8-9H2,1-2H3
InChIKeyNRIVRPZPQODFFE-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
CID 116534105
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine (CID 103291891) is N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine is COc1cccc(Cl)c1CNC(C)CCCC(F)(F)F.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is NRIVRPZPQODFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NO/c1-10(5-4-8-14(16,17)18)19-9-11-12(15)6-3-7-13(11)20-2/h3,6-7,10,19H,4-5,8-9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 309.76 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 103291891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).