2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine

C14H20BrNO — CID 66323008

IUPAC2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
SMILESNCC(OCC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c15-13-7-3-6-12(8-13)14(9-16)17-10-11-4-1-2-5-11/h3,6-8,11,14H,1-2,4-5,9-10,16H2
InChIKeyASXDJPXLOVQFHX-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine

2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine (PubChem CID 66323008) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
PubChem CID66323008
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
SMILESNCC(OCC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c15-13-7-3-6-12(8-13)14(9-16)17-10-11-4-1-2-5-11/h3,6-8,11,14H,1-2,4-5,9-10,16H2
InChIKeyASXDJPXLOVQFHX-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200135
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
CID 55018005
2-(4-chlorophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66322375
1-bromo-3-[1-(2-cyclobutylethoxy)-2-iodoethyl]benzene
CID 106204833
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
CID 66321305
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
1-[2-bromo-1-(cyclohexylmethoxy)ethyl]-3-methylbenzene
CID 55193250
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine (CID 66323008) is 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine is NCC(OCC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine?
The InChIKey is ASXDJPXLOVQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-7-3-6-12(8-13)14(9-16)17-10-11-4-1-2-5-11/h3,6-8,11,14H,1-2,4-5,9-10,16H2.
What are the key properties of 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine?
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine is sourced from PubChem (CID 66323008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).