1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine

C15H25BrN2 — CID 55000910

IUPAC1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)CN(C(C)C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-11(2)10-18(12(3)4)15(9-17)13-6-5-7-14(16)8-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyBGRGUSKRCFMCDK-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.82
Rot. Bonds6

About 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine

1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 55000910) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID55000910
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)CN(C(C)C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-11(2)10-18(12(3)4)15(9-17)13-6-5-7-14(16)8-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyBGRGUSKRCFMCDK-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483927
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43104509
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine (CID 55000910) is 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine is CC(C)CN(C(C)C)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is BGRGUSKRCFMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-11(2)10-18(12(3)4)15(9-17)13-6-5-7-14(16)8-13/h5-8,11-12,15H,9-10,17H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).