1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine

C13H18BrNO — CID 43179194

IUPAC1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-10(12-6-2-3-7-13(12)14)15-9-11-5-4-8-16-11/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3
InChIKeyZJOWIFNQJWUKMM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine

1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 43179194) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID43179194
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-10(12-6-2-3-7-13(12)14)15-9-11-5-4-8-16-11/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3
InChIKeyZJOWIFNQJWUKMM-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 43179194) is 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is ZJOWIFNQJWUKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(12-6-2-3-7-13(12)14)15-9-11-5-4-8-16-11/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 43179194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).