3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

C15H24BrN — CID 68510554

IUPAC3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCC(Br)c1ccccc1)C(C)C
InChIInChI=1S/C15H24BrN/c1-12(2)17(13(3)4)11-10-15(16)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyKYRSRIVCKUIVFL-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.63
Rot. Bonds6

About 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 68510554) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
PubChem CID68510554
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCC(Br)c1ccccc1)C(C)C
InChIInChI=1S/C15H24BrN/c1-12(2)17(13(3)4)11-10-15(16)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyKYRSRIVCKUIVFL-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-5-phenylpentan-2-one
CID 70081529
[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
CID 54021285
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 25023480
(3R)-3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine;hydrobromide
CID 67440218
3-[di(propan-2-yl)amino]propyl-triphenylphosphanium
CID 71322716
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
(3R)-3-(3-methylcyclohexa-1,3-dien-1-yl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 173053427
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
1-bromoethylbenzene
CID 11454

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (CID 68510554) is 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CCC(Br)c1ccccc1)C(C)C.
What is the InChIKey of 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is KYRSRIVCKUIVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12(2)17(13(3)4)11-10-15(16)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3.
What are the key properties of 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 68510554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).