N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine

C12H18ClNO — CID 112610454

IUPACN-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-9-6-5-7-10(13)11(9)15-4/h5-7,14H,8H2,1-4H3
InChIKeyODJZUDBFNGRQKW-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.24
Rot. Bonds3

About N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 112610454) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID112610454
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-9-6-5-7-10(13)11(9)15-4/h5-7,14H,8H2,1-4H3
InChIKeyODJZUDBFNGRQKW-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
N-[(3-chloro-2-pent-3-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104805501
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
2-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]butanenitrile
CID 112610459
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[[3-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954724
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
(3-chloro-2-methoxyphenyl)methanol
CID 54184130

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine (CID 112610454) is N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine is COc1c(Cl)cccc1CNC(C)(C)C.
What is the InChIKey of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ODJZUDBFNGRQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)14-8-9-6-5-7-10(13)11(9)15-4/h5-7,14H,8H2,1-4H3.
What are the key properties of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).