4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

C13H21BrN2 — CID 115346323

IUPAC4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-15-13(8-9-16(2)3)10-11-4-6-12(14)7-5-11/h4-7,13,15H,8-10H2,1-3H3
InChIKeyDPHIPPAMNKIFCE-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.53
Rot. Bonds6

About 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 115346323) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID115346323
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-15-13(8-9-16(2)3)10-11-4-6-12(14)7-5-11/h4-7,13,15H,8-10H2,1-3H3
InChIKeyDPHIPPAMNKIFCE-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
4-(4-bromo-2-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346335
1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
CID 115346011
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
4-(5-bromo-2-methoxyphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346330
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
4-(2-bromo-4-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291269

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 115346323) is 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CNC(CCN(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is DPHIPPAMNKIFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-15-13(8-9-16(2)3)10-11-4-6-12(14)7-5-11/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 115346323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).