1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine

C17H28N2O2 — CID 79969343

IUPAC1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C17H28N2O2/c1-20-10-8-19(9-11-21-2)17(13-18)16-5-3-4-15(12-16)14-6-7-14/h3-5,12,14,17H,6-11,13,18H2,1-2H3
InChIKeyXGMMBTVZUPGQRX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.16
Rot. Bonds10

About 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine

1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 79969343) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID79969343
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C17H28N2O2/c1-20-10-8-19(9-11-21-2)17(13-18)16-5-3-4-15(12-16)14-6-7-14/h3-5,12,14,17H,6-11,13,18H2,1-2H3
InChIKeyXGMMBTVZUPGQRX-UHFFFAOYSA-N
XLogP2.16
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79984117
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658329
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
CID 79971907
1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474
N,N-bis(2-methoxyethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052111
1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79968542
methyl 2-chloro-2-(3-cyclopropylphenyl)acetate
CID 79979811

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine (CID 79969343) is 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCOC)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is XGMMBTVZUPGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-20-10-8-19(9-11-21-2)17(13-18)16-5-3-4-15(12-16)14-6-7-14/h3-5,12,14,17H,6-11,13,18H2,1-2H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 79969343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).