1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine

C17H29BrN2 — CID 63406056

IUPAC1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C17H29BrN2/c1-5-14(6-2)12-20(7-3)17(13(4)19)15-9-8-10-16(18)11-15/h8-11,13-14,17H,5-7,12,19H2,1-4H3
InChIKeyUQXNBNKJWZUXGO-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.60
Rot. Bonds8

About 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine

1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine (PubChem CID 63406056) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
PubChem CID63406056
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C17H29BrN2/c1-5-14(6-2)12-20(7-3)17(13(4)19)15-9-8-10-16(18)11-15/h8-11,13-14,17H,5-7,12,19H2,1-4H3
InChIKeyUQXNBNKJWZUXGO-UHFFFAOYSA-N
XLogP4.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 55019434
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
3-[[2-amino-1-(3-methylphenyl)propyl]-ethylamino]-2-methylpropanenitrile
CID 55020222
1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 63404525
1-(2-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 63406104
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(3-bromophenyl)ethanamine;ethane
CID 142874111

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine (CID 63406056) is 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine is CCC(CC)CN(CC)C(c1cccc(Br)c1)C(C)N.
What is the InChIKey of 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
The InChIKey is UQXNBNKJWZUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-5-14(6-2)12-20(7-3)17(13(4)19)15-9-8-10-16(18)11-15/h8-11,13-14,17H,5-7,12,19H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine is sourced from PubChem (CID 63406056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).