1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine

C14H23BrN2 — CID 55015880

IUPAC1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C(C)C)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C14H23BrN2/c1-5-17(10(2)3)14(11(4)16)12-6-8-13(15)9-7-12/h6-11,14H,5,16H2,1-4H3
InChIKeyCBPCPNYDWUMSLP-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine

1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55015880) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55015880
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C(C)C)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C14H23BrN2/c1-5-17(10(2)3)14(11(4)16)12-6-8-13(15)9-7-12/h6-11,14H,5,16H2,1-4H3
InChIKeyCBPCPNYDWUMSLP-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637
1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 55016609
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol
CID 55016801
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 63406064
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine (CID 55015880) is 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine is CCN(C(C)C)C(c1ccc(Br)cc1)C(C)N.
What is the InChIKey of 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is CBPCPNYDWUMSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-17(10(2)3)14(11(4)16)12-6-8-13(15)9-7-12/h6-11,14H,5,16H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine?
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55015880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).