N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine

C18H28BrNO — CID 66322694

IUPACN-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H28BrNO/c1-18(2,3)20-12-17(15-8-10-16(19)11-9-15)21-13-14-6-4-5-7-14/h8-11,14,17,20H,4-7,12-13H2,1-3H3
InChIKeyOWJUAQALFXNJEA-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.09
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 66322694) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID66322694
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H28BrNO/c1-18(2,3)20-12-17(15-8-10-16(19)11-9-15)21-13-14-6-4-5-7-14/h8-11,14,17,20H,4-7,12-13H2,1-3H3
InChIKeyOWJUAQALFXNJEA-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62107147
1-bromo-4-[1-(cyclopentylmethoxy)-2-iodoethyl]benzene
CID 114774613
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine (CID 66322694) is N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is OWJUAQALFXNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-18(2,3)20-12-17(15-8-10-16(19)11-9-15)21-13-14-6-4-5-7-14/h8-11,14,17,20H,4-7,12-13H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 354.33 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66322694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).