2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine

C16H26BrNO — CID 79438359

IUPAC2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
SMILESCCOCCC(CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO/c1-5-19-11-10-14(12-18-16(2,3)4)13-6-8-15(17)9-7-13/h6-9,14,18H,5,10-12H2,1-4H3
InChIKeyVUMWTMIJNBGPTL-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.35
Rot. Bonds7

About 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine

2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine (PubChem CID 79438359) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
PubChem CID79438359
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
SMILESCCOCCC(CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO/c1-5-19-11-10-14(12-18-16(2,3)4)13-6-8-15(17)9-7-13/h6-9,14,18H,5,10-12H2,1-4H3
InChIKeyVUMWTMIJNBGPTL-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
CID 83168805
4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
CID 79430720
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
N-tert-butyl-2-(3-chlorophenyl)-5-ethoxypentan-1-amine
CID 79442507
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine (CID 79438359) is 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine is CCOCCC(CNC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine?
The InChIKey is VUMWTMIJNBGPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-19-11-10-14(12-18-16(2,3)4)13-6-8-15(17)9-7-13/h6-9,14,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine?
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine is sourced from PubChem (CID 79438359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).