2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine

C16H24BrNO2 — CID 106930945

IUPAC2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(COCC1CC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2/c1-19-9-8-18-10-14(12-20-11-13-6-7-13)15-4-2-3-5-16(15)17/h2-5,13-14,18H,6-12H2,1H3
InChIKeyNLMSTJLGGLPLMR-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.20
Rot. Bonds10

About 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine

2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 106930945) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID106930945
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(COCC1CC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2/c1-19-9-8-18-10-14(12-20-11-13-6-7-13)15-4-2-3-5-16(15)17/h2-5,13-14,18H,6-12H2,1H3
InChIKeyNLMSTJLGGLPLMR-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 79436792
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine (CID 106930945) is 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(COCC1CC1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is NLMSTJLGGLPLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-19-9-8-18-10-14(12-20-11-13-6-7-13)15-4-2-3-5-16(15)17/h2-5,13-14,18H,6-12H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine?
2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 106930945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).