1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

C15H25BrN2O — CID 55098123

IUPAC1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1Br)C(C)COC
InChIInChI=1S/C15H25BrN2O/c1-4-18(12(2)11-19-3)10-9-15(17)13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11,17H2,1-3H3
InChIKeyPBGHCEGAIYFAMT-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.20
Rot. Bonds8

About 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (PubChem CID 55098123) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
PubChem CID55098123
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1Br)C(C)COC
InChIInChI=1S/C15H25BrN2O/c1-4-18(12(2)11-19-3)10-9-15(17)13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11,17H2,1-3H3
InChIKeyPBGHCEGAIYFAMT-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (CID 55098123) is 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is CCN(CCC(N)c1ccccc1Br)C(C)COC.
What is the InChIKey of 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The InChIKey is PBGHCEGAIYFAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-18(12(2)11-19-3)10-9-15(17)13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11,17H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 55098123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).