1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine

C14H25BrN2O2 — CID 106885671

IUPAC1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)c1occc1Br
InChIInChI=1S/C14H25BrN2O2/c1-4-11(5-2)17(7-9-18-3)13(10-16)14-12(15)6-8-19-14/h6,8,11,13H,4-5,7,9-10,16H2,1-3H3
InChIKeyXXYFISADMXVIKS-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.18
Rot. Bonds9

About 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine

1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 106885671) has the molecular formula C14H25BrN2O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID106885671
Molecular FormulaC14H25BrN2O2
Molecular Weight333.27 g/mol
Exact Mass332.11
IUPAC Name1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)c1occc1Br
InChIInChI=1S/C14H25BrN2O2/c1-4-11(5-2)17(7-9-18-3)13(10-16)14-12(15)6-8-19-14/h6,8,11,13H,4-5,7,9-10,16H2,1-3H3
InChIKeyXXYFISADMXVIKS-UHFFFAOYSA-N
XLogP3.18
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 106885640
1-(4-bromo-3-methylphenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 66475033
1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 102838866
1-(3,5-difluorophenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106528598
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine
CID 55004064
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 106885648
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83230949
1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 55000952
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine (CID 106885671) is 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCOC)C(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is XXYFISADMXVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O2/c1-4-11(5-2)17(7-9-18-3)13(10-16)14-12(15)6-8-19-14/h6,8,11,13H,4-5,7,9-10,16H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 106885671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).