N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine

C13H20ClNO2 — CID 115608043

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO2/c1-13(2,9-16-3)15-8-10-7-11(14)5-6-12(10)17-4/h5-7,15H,8-9H2,1-4H3
InChIKeyAOMGRYDKQOFRBT-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.86
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine (PubChem CID 115608043) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine
PubChem CID115608043
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO2/c1-13(2,9-16-3)15-8-10-7-11(14)5-6-12(10)17-4/h5-7,15H,8-9H2,1-4H3
InChIKeyAOMGRYDKQOFRBT-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methylamino]-3-methylbutanoic acid
CID 166241104
N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115608052
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 112841991
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
3-[(5-chloro-2-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170017

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine (CID 115608043) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCc1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
The InChIKey is AOMGRYDKQOFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-13(2,9-16-3)15-8-10-7-11(14)5-6-12(10)17-4/h5-7,15H,8-9H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 115608043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).