3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine

C15H24BrNO — CID 5262100

IUPAC3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-3-10-17(11-4-2)12-5-13-18-15-8-6-14(16)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyQVKNQKFQMTYRJQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.34
Rot. Bonds9

About 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine

3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine (PubChem CID 5262100) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
PubChem CID5262100
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-3-10-17(11-4-2)12-5-13-18-15-8-6-14(16)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyQVKNQKFQMTYRJQ-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
CID 5262090
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
CID 2246319
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79704955
3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine
CID 67164645
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine (CID 5262100) is 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine?
The InChIKey is QVKNQKFQMTYRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-10-17(11-4-2)12-5-13-18-15-8-6-14(16)7-9-15/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine?
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 5262100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).