3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine

C15H17BrN2O — CID 82831980

IUPAC3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1COCc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-2-17-15-13(6-4-8-18-15)11-19-10-12-5-3-7-14(16)9-12/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyDTEDQAOMGCXNSU-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.99
Rot. Bonds6

About 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine

3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine (PubChem CID 82831980) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
PubChem CID82831980
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1COCc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-2-17-15-13(6-4-8-18-15)11-19-10-12-5-3-7-14(16)9-12/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyDTEDQAOMGCXNSU-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine
CID 66224548
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82807487
3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 65125822
1-bromo-3-(propoxymethyl)benzene
CID 57057286
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine
CID 103490226
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
N-ethyl-3-[(2-propoxyphenoxy)methyl]pyridin-2-amine
CID 62465153
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine (CID 82831980) is 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine is CCNc1ncccc1COCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine?
The InChIKey is DTEDQAOMGCXNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-17-15-13(6-4-8-18-15)11-19-10-12-5-3-7-14(16)9-12/h3-9H,2,10-11H2,1H3,(H,17,18).
What are the key properties of 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine?
3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 82831980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).