3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C15H24BrNO — CID 82831932

IUPAC3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COCc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-12(2)17-10-15(3,4)11-18-9-13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3
InChIKeyFUPKLVLJXKUCDE-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.99
Rot. Bonds7

About 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 82831932) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID82831932
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COCc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-12(2)17-10-15(3,4)11-18-9-13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3
InChIKeyFUPKLVLJXKUCDE-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 82831624
3-[(4-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827410
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626545
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 79627713
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 82831932) is 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(C)COCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is FUPKLVLJXKUCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12(2)17-10-15(3,4)11-18-9-13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 82831932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).