N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine

C14H22ClNO — CID 104827613

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cccc(Cl)c1CNC(C)C(C)(C)C
InChIInChI=1S/C14H22ClNO/c1-10(14(2,3)4)16-9-11-12(15)7-6-8-13(11)17-5/h6-8,10,16H,9H2,1-5H3
InChIKeyAQMMAHYGYOSDCB-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.87
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 104827613) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID104827613
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cccc(Cl)c1CNC(C)C(C)(C)C
InChIInChI=1S/C14H22ClNO/c1-10(14(2,3)4)16-9-11-12(15)7-6-8-13(11)17-5/h6-8,10,16H,9H2,1-5H3
InChIKeyAQMMAHYGYOSDCB-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 103291891
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine (CID 104827613) is N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine is COc1cccc(Cl)c1CNC(C)C(C)(C)C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is AQMMAHYGYOSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(14(2,3)4)16-9-11-12(15)7-6-8-13(11)17-5/h6-8,10,16H,9H2,1-5H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.87, 4 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]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104827613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).