N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine

C15H22ClNO3 — CID 77092875

IUPACN-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine
SMILESCOCC1(N(C)Cc2cc(Cl)cc(OC)c2OC)CC1
InChIInChI=1S/C15H22ClNO3/c1-17(15(5-6-15)10-18-2)9-11-7-12(16)8-13(19-3)14(11)20-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyWMAIMDYNFDKEPT-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.97
Rot. Bonds7

About N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine

N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine (PubChem CID 77092875) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine
PubChem CID77092875
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine
SMILESCOCC1(N(C)Cc2cc(Cl)cc(OC)c2OC)CC1
InChIInChI=1S/C15H22ClNO3/c1-17(15(5-6-15)10-18-2)9-11-7-12(16)8-13(19-3)14(11)20-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyWMAIMDYNFDKEPT-UHFFFAOYSA-N
XLogP2.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95126134
9-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 74233749
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
CID 105414681
(3aS,6aR)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138808583
N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135118869
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45246733
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223085
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine?
The IUPAC name of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine (CID 77092875) is N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine?
The canonical SMILES for N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine is COCC1(N(C)Cc2cc(Cl)cc(OC)c2OC)CC1.
What is the InChIKey of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine?
The InChIKey is WMAIMDYNFDKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-17(15(5-6-15)10-18-2)9-11-7-12(16)8-13(19-3)14(11)20-4/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine?
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine has a molecular weight of 299.80 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine is sourced from PubChem (CID 77092875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).