4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

C15H25BrN2 — CID 113291352

IUPAC4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H25BrN2/c1-4-10-17-15(9-11-18(2)3)12-13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyUANNKUJOVJVKTH-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.31
Rot. Bonds8

About 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 113291352) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID113291352
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H25BrN2/c1-4-10-17-15(9-11-18(2)3)12-13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyUANNKUJOVJVKTH-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
CID 115346011
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (CID 113291352) is 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is UANNKUJOVJVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-4-10-17-15(9-11-18(2)3)12-13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.31, 8 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-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 113291352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).