1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine

C14H22BrNO — CID 116758609

IUPAC1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-14(3,17-5-2)13(16)10-11-6-8-12(15)9-7-11/h6-9,13H,4-5,10,16H2,1-3H3
InChIKeySITLZOIGJQDZOX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine

1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine (PubChem CID 116758609) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
PubChem CID116758609
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-14(3,17-5-2)13(16)10-11-6-8-12(15)9-7-11/h6-9,13H,4-5,10,16H2,1-3H3
InChIKeySITLZOIGJQDZOX-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758429
3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine
CID 116757360
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601
1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758497
1-(4-chlorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726294
4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine
CID 116758401
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine (CID 116758609) is 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine is CCOC(C)(CC)C(N)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine?
The InChIKey is SITLZOIGJQDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(3,17-5-2)13(16)10-11-6-8-12(15)9-7-11/h6-9,13H,4-5,10,16H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine?
1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.52, 6 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-3-methylpentan-2-amine is sourced from PubChem (CID 116758609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).