3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine

C14H22BrNO — CID 82831624

IUPAC3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-16-10-14(2,3)11-17-9-12-5-7-13(15)8-6-12/h5-8,16H,4,9-11H2,1-3H3
InChIKeyTZYNEJWFRQRMAG-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.60
Rot. Bonds7

About 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine

3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 82831624) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID82831624
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-16-10-14(2,3)11-17-9-12-5-7-13(15)8-6-12/h5-8,16H,4,9-11H2,1-3H3
InChIKeyTZYNEJWFRQRMAG-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 82831932
2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine
CID 82831620
3-[(4-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827410
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine (CID 82831624) is 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is TZYNEJWFRQRMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-16-10-14(2,3)11-17-9-12-5-7-13(15)8-6-12/h5-8,16H,4,9-11H2,1-3H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.60, 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]-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82831624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).