1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C15H24BrNO — CID 105087369

IUPAC1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-5-17-13(11-18-15(2,3)4)10-12-8-6-7-9-14(12)16/h6-9,13,17H,5,10-11H2,1-4H3
InChIKeyKFYVATTUJXQZIC-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.78
Rot. Bonds6

About 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 105087369) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID105087369
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-5-17-13(11-18-15(2,3)4)10-12-8-6-7-9-14(12)16/h6-9,13,17H,5,10-11H2,1-4H3
InChIKeyKFYVATTUJXQZIC-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[(2-methylpropan-2-yl)oxy]-3-naphthalen-1-ylpropan-2-amine
CID 105130911
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178828
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 105087369) is 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is CCNC(COC(C)(C)C)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is KFYVATTUJXQZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-17-13(11-18-15(2,3)4)10-12-8-6-7-9-14(12)16/h6-9,13,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 105087369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).