1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine

C15H24BrNO — CID 116758899

IUPAC1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C15H24BrNO/c1-5-15(3,18-6-2)14(17-4)11-12-7-9-13(16)10-8-12/h7-10,14,17H,5-6,11H2,1-4H3
InChIKeyYJYGYVLWXCEIEH-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine

1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine (PubChem CID 116758899) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
PubChem CID116758899
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C15H24BrNO/c1-5-15(3,18-6-2)14(17-4)11-12-7-9-13(16)10-8-12/h7-10,14,17H,5-6,11H2,1-4H3
InChIKeyYJYGYVLWXCEIEH-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758609
3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
CID 116758877
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 106868834
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063
4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
CID 116758710
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 79060487
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine (CID 116758899) is 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine is CCOC(C)(CC)C(Cc1ccc(Br)cc1)NC.
What is the InChIKey of 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The InChIKey is YJYGYVLWXCEIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-15(3,18-6-2)14(17-4)11-12-7-9-13(16)10-8-12/h7-10,14,17H,5-6,11H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine is sourced from PubChem (CID 116758899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).