1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine

C14H23BrN2O — CID 63697349

IUPAC1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H23BrN2O/c1-3-17(8-9-18-4-2)14(11-16)12-6-5-7-13(15)10-12/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3
InChIKeyCSYWOYBKHFNIAN-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.81
Rot. Bonds8

About 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine

1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine (PubChem CID 63697349) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
PubChem CID63697349
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H23BrN2O/c1-3-17(8-9-18-4-2)14(11-16)12-6-5-7-13(15)10-12/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3
InChIKeyCSYWOYBKHFNIAN-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.81
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

1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 106528666
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
2-(3-bromophenyl)-5-ethoxypentan-1-amine
CID 79442547
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
ethyl 3-(3-bromophenyl)-3-(diethylamino)propanoate
CID 64542038
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine (CID 63697349) is 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine is CCOCCN(CC)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The InChIKey is CSYWOYBKHFNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-3-17(8-9-18-4-2)14(11-16)12-6-5-7-13(15)10-12/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine has a molecular weight of 315.26 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 63697349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).