1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine

C17H29BrN2 — CID 63404525

IUPAC1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
SMILESCCC(N)C(c1cccc(Br)c1)N(C)C(C)CC(C)C
InChIInChI=1S/C17H29BrN2/c1-6-16(19)17(14-8-7-9-15(18)11-14)20(5)13(4)10-12(2)3/h7-9,11-13,16-17H,6,10,19H2,1-5H3
InChIKeySWANMAGQTLDPFM-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.59
Rot. Bonds7

About 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine

1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine (PubChem CID 63404525) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
PubChem CID63404525
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
SMILESCCC(N)C(c1cccc(Br)c1)N(C)C(C)CC(C)C
InChIInChI=1S/C17H29BrN2/c1-6-16(19)17(14-8-7-9-15(18)11-14)20(5)13(4)10-12(2)3/h7-9,11-13,16-17H,6,10,19H2,1-5H3
InChIKeySWANMAGQTLDPFM-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.59
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-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
CID 55017229
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
1-(3-bromophenyl)-1-(2-methylpropylsulfanyl)butan-2-amine
CID 55018251
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 63406056
4-(3-bromophenyl)pentan-2-amine
CID 83912731
2-(3-bromophenyl)-4-methylpentanal
CID 83844088
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine (CID 63404525) is 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine is CCC(N)C(c1cccc(Br)c1)N(C)C(C)CC(C)C.
What is the InChIKey of 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine?
The InChIKey is SWANMAGQTLDPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-6-16(19)17(14-8-7-9-15(18)11-14)20(5)13(4)10-12(2)3/h7-9,11-13,16-17H,6,10,19H2,1-5H3.
What are the key properties of 1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine?
1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.59, 7 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-(4-methylpentan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 63404525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).