1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C17H27BrN2O — CID 66472244

IUPAC1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(C(CN)c1ccc(Br)c(C)c1)C(C)C1CC1
InChIInChI=1S/C17H27BrN2O/c1-12-10-15(6-7-16(12)18)17(11-19)20(8-9-21-3)13(2)14-4-5-14/h6-7,10,13-14,17H,4-5,8-9,11,19H2,1-3H3
InChIKeyQTEIYKIJANKSIU-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.50
Rot. Bonds8

About 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine

1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 66472244) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID66472244
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(C(CN)c1ccc(Br)c(C)c1)C(C)C1CC1
InChIInChI=1S/C17H27BrN2O/c1-12-10-15(6-7-16(12)18)17(11-19)20(8-9-21-3)13(2)14-4-5-14/h6-7,10,13-14,17H,4-5,8-9,11,19H2,1-3H3
InChIKeyQTEIYKIJANKSIU-UHFFFAOYSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine with MolForge

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 66475033
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83230949
1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 66474428
4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 107274835
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile
CID 62780066
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
CID 66429028
1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474
1-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 105404971
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
1-(4-bromo-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044722

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 66472244) is 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCN(C(CN)c1ccc(Br)c(C)c1)C(C)C1CC1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is QTEIYKIJANKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-12-10-15(6-7-16(12)18)17(11-19)20(8-9-21-3)13(2)14-4-5-14/h6-7,10,13-14,17H,4-5,8-9,11,19H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 355.32 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 66472244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).