1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine

C13H21BrN2 — CID 116950044

IUPAC1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1ccccc1Br)C(C)(C)CCN
InChIInChI=1S/C13H21BrN2/c1-13(2,8-9-15)12(16-3)10-6-4-5-7-11(10)14/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeyBSBJPOSXQVMWFU-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine

1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 116950044) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID116950044
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1ccccc1Br)C(C)(C)CCN
InChIInChI=1S/C13H21BrN2/c1-13(2,8-9-15)12(16-3)10-6-4-5-7-11(10)14/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeyBSBJPOSXQVMWFU-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949961
1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 116958838
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116950035
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950034
1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905841
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
1-(2-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 116948954
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
4-(2-bromophenyl)-2-methylpentan-2-amine
CID 83913148

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 116950044) is 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine is CNC(c1ccccc1Br)C(C)(C)CCN.
What is the InChIKey of 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is BSBJPOSXQVMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-13(2,8-9-15)12(16-3)10-6-4-5-7-11(10)14/h4-7,12,16H,8-9,15H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine?
1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116950044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).