N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine

C13H20ClNO2 — CID 114319956

IUPACN-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCOc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C13H20ClNO2/c1-10(2)7-15-8-11-12(14)5-4-6-13(11)17-9-16-3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyAQSDRJGTWLHQRM-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.07
Rot. Bonds7

About N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 114319956) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID114319956
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCOc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C13H20ClNO2/c1-10(2)7-15-8-11-12(14)5-4-6-13(11)17-9-16-3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyAQSDRJGTWLHQRM-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
5-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 114320034
4-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114319981
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 114319991
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 114319956) is N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine is COCOc1cccc(Cl)c1CNCC(C)C.
What is the InChIKey of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is AQSDRJGTWLHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)7-15-8-11-12(14)5-4-6-13(11)17-9-16-3/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114319956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).