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

C16H26ClNO — CID 104815707

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
SMILESCOc1cccc(Cl)c1CNC(C)CCCC(C)C
InChIInChI=1S/C16H26ClNO/c1-12(2)7-5-8-13(3)18-11-14-15(17)9-6-10-16(14)19-4/h6,9-10,12-13,18H,5,7-8,11H2,1-4H3
InChIKeyCFYZHQRITJIJIQ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.65
Rot. Bonds8

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

N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine (PubChem CID 104815707) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
PubChem CID104815707
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
SMILESCOc1cccc(Cl)c1CNC(C)CCCC(C)C
InChIInChI=1S/C16H26ClNO/c1-12(2)7-5-8-13(3)18-11-14-15(17)9-6-10-16(14)19-4/h6,9-10,12-13,18H,5,7-8,11H2,1-4H3
InChIKeyCFYZHQRITJIJIQ-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 103291891
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-methylsulfonylphenyl)methyl]-6-methylheptan-2-amine
CID 83169673
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine (CID 104815707) is N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine is COc1cccc(Cl)c1CNC(C)CCCC(C)C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine?
The InChIKey is CFYZHQRITJIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-12(2)7-5-8-13(3)18-11-14-15(17)9-6-10-16(14)19-4/h6,9-10,12-13,18H,5,7-8,11H2,1-4H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.65, 8 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-methylheptan-2-amine is sourced from PubChem (CID 104815707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).