N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine

C12H18ClNO2 — CID 104815643

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1c(Cl)cccc1OC
InChIInChI=1S/C12H18ClNO2/c1-9(8-15-2)14-7-10-11(13)5-4-6-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyNHGUQRNYKRXESB-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.47
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 104815643) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID104815643
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1c(Cl)cccc1OC
InChIInChI=1S/C12H18ClNO2/c1-9(8-15-2)14-7-10-11(13)5-4-6-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyNHGUQRNYKRXESB-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]phenol
CID 96951594
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 103291891
N-[(2-chloro-6-nitrophenyl)methyl]-1-methoxypropan-2-amine
CID 55242836
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
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine (CID 104815643) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1c(Cl)cccc1OC.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is NHGUQRNYKRXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(8-15-2)14-7-10-11(13)5-4-6-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 243.73 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 104815643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).