N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine

C16H26BrNO — CID 102984669

IUPACN-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
SMILESCCCNCC(OC(C)CCC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-4-8-13(3)19-16(12-18-11-5-2)14-9-6-7-10-15(14)17/h6-7,9-10,13,16,18H,4-5,8,11-12H2,1-3H3
InChIKeyKNDOWVHAFYQUDN-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.70
Rot. Bonds9

About N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine

N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine (PubChem CID 102984669) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
PubChem CID102984669
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
SMILESCCCNCC(OC(C)CCC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-4-8-13(3)19-16(12-18-11-5-2)14-9-6-7-10-15(14)17/h6-7,9-10,13,16,18H,4-5,8,11-12H2,1-3H3
InChIKeyKNDOWVHAFYQUDN-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.70
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

N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63473525
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763
2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
2-(2-bromophenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103490191
N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 62108264
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine (CID 102984669) is N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine is CCCNCC(OC(C)CCC)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
The InChIKey is KNDOWVHAFYQUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-8-13(3)19-16(12-18-11-5-2)14-9-6-7-10-15(14)17/h6-7,9-10,13,16,18H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 102984669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).