1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine

C14H20BrNO — CID 113234990

IUPAC1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
SMILESCC(NCCOCC1CC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11(13-4-2-3-5-14(13)15)16-8-9-17-10-12-6-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyIUFBTWMZPOCINS-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.53
Rot. Bonds7

About 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine

1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine (PubChem CID 113234990) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
PubChem CID113234990
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
SMILESCC(NCCOCC1CC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11(13-4-2-3-5-14(13)15)16-8-9-17-10-12-6-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyIUFBTWMZPOCINS-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.53
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-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine (CID 113234990) is 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine is CC(NCCOCC1CC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
The InChIKey is IUFBTWMZPOCINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11(13-4-2-3-5-14(13)15)16-8-9-17-10-12-6-7-12/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine is sourced from PubChem (CID 113234990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).