1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine

C16H27BrN2 — CID 63406143

IUPAC1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
SMILESCCCN(CCC)C(c1ccccc1Br)C(N)CC
InChIInChI=1S/C16H27BrN2/c1-4-11-19(12-5-2)16(15(18)6-3)13-9-7-8-10-14(13)17/h7-10,15-16H,4-6,11-12,18H2,1-3H3
InChIKeyCDPNLTGKLBWIBE-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.35
Rot. Bonds8

About 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine

1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine (PubChem CID 63406143) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
PubChem CID63406143
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
SMILESCCCN(CCC)C(c1ccccc1Br)C(N)CC
InChIInChI=1S/C16H27BrN2/c1-4-11-19(12-5-2)16(15(18)6-3)13-9-7-8-10-14(13)17/h7-10,15-16H,4-6,11-12,18H2,1-3H3
InChIKeyCDPNLTGKLBWIBE-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 63406104
1-(2-bromophenyl)-1-N-methyl-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657300
1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
CID 55021740
3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914537
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683
1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
CID 55023020
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine (CID 63406143) is 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine is CCCN(CCC)C(c1ccccc1Br)C(N)CC.
What is the InChIKey of 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine?
The InChIKey is CDPNLTGKLBWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-4-11-19(12-5-2)16(15(18)6-3)13-9-7-8-10-14(13)17/h7-10,15-16H,4-6,11-12,18H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine?
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine has a molecular weight of 327.31 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine is sourced from PubChem (CID 63406143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).