N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine

C16H26N2O — CID 43568904

IUPACN-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)C(C)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-19-16-8-6-5-7-14(16)15(11-17)18(3)12(2)13-9-10-13/h5-8,12-13,15H,4,9-11,17H2,1-3H3
InChIKeyPUWUPAJKWVNMQJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.82
Rot. Bonds7

About N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine

N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 43568904) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID43568904
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)C(C)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-19-16-8-6-5-7-14(16)15(11-17)18(3)12(2)13-9-10-13/h5-8,12-13,15H,4,9-11,17H2,1-3H3
InChIKeyPUWUPAJKWVNMQJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179
N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
CID 83974412
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
2-cyclopropyl-1-(2-ethoxyphenyl)-N-methylpropan-1-amine
CID 115853704

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine (CID 43568904) is N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine is CCOc1ccccc1C(CN)N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is PUWUPAJKWVNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16-8-6-5-7-14(16)15(11-17)18(3)12(2)13-9-10-13/h5-8,12-13,15H,4,9-11,17H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine?
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).