1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C16H26N2O2 — CID 63879579

IUPAC1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCOc1cccc(C(CN)N(C)CC2CC2C)c1OC
InChIInChI=1S/C16H26N2O2/c1-11-8-12(11)10-18(2)14(9-17)13-6-5-7-15(19-3)16(13)20-4/h5-7,11-12,14H,8-10,17H2,1-4H3
InChIKeyZKWZEOJIJCVFOH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 63879579) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID63879579
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCOc1cccc(C(CN)N(C)CC2CC2C)c1OC
InChIInChI=1S/C16H26N2O2/c1-11-8-12(11)10-18(2)14(9-17)13-6-5-7-15(19-3)16(13)20-4/h5-7,11-12,14H,8-10,17H2,1-4H3
InChIKeyZKWZEOJIJCVFOH-UHFFFAOYSA-N
XLogP2.29
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
1-(2,3-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79841861
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258429
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879248
1-(2,3-dimethoxyphenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 115985647
1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258811
1-(2,3-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273499
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 63631489
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258622

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 63879579) is 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is COc1cccc(C(CN)N(C)CC2CC2C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is ZKWZEOJIJCVFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-12(11)10-18(2)14(9-17)13-6-5-7-15(19-3)16(13)20-4/h5-7,11-12,14H,8-10,17H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63879579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).