1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

C15H25BrN2 — CID 55019434

IUPAC1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(C)C(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C15H25BrN2/c1-5-14(6-2)18(4)15(11(3)17)12-8-7-9-13(16)10-12/h7-11,14-15H,5-6,17H2,1-4H3
InChIKeyJATYNYXXERTEKI-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.96
Rot. Bonds6

About 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 55019434) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID55019434
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(C)C(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C15H25BrN2/c1-5-14(6-2)18(4)15(11(3)17)12-8-7-9-13(16)10-12/h7-11,14-15H,5-6,17H2,1-4H3
InChIKeyJATYNYXXERTEKI-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 63404525
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 63406056
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
2-[[3-amino-3-(3-bromophenyl)propyl]-pentan-3-ylamino]ethanol
CID 62619127
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromophenyl)-1-N-methyl-1-N-(thiolan-3-yl)propane-1,2-diamine
CID 55019864
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
4-(3-bromophenyl)pentan-2-amine
CID 83912731
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (CID 55019434) is 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(C)C(c1cccc(Br)c1)C(C)N.
What is the InChIKey of 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is JATYNYXXERTEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-14(6-2)18(4)15(11(3)17)12-8-7-9-13(16)10-12/h7-11,14-15H,5-6,17H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.96, 6 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-methyl-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 55019434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).