3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine

C15H24BrNO — CID 5262090

IUPAC3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCOc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H24BrNO/c1-12(2)17(13(3)4)10-5-11-18-15-8-6-14(16)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyHLLQDTKAPLOSAZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.34
Rot. Bonds7

About 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine

3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 5262090) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
PubChem CID5262090
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCOc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H24BrNO/c1-12(2)17(13(3)4)10-5-11-18-15-8-6-14(16)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyHLLQDTKAPLOSAZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
4-(4-bromophenoxy)butan-2-ol
CID 112686550
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
CID 167779460
1,3-dibromo-5-[3-(4-bromophenoxy)propoxy]benzene
CID 59330896
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
3-(4-bromophenoxy)propyl-diethylazanium
CID 2057944

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine (CID 5262090) is 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CCCOc1ccc(Br)cc1)C(C)C.
What is the InChIKey of 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is HLLQDTKAPLOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12(2)17(13(3)4)10-5-11-18-15-8-6-14(16)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine?
3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.34, 7 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-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 5262090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).