N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine

C14H20BrN — CID 115051899

IUPACN-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-3-16(4-2)11-14(8-9-14)12-6-5-7-13(15)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyOYUYHQDOAYDTRQ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.82
Rot. Bonds5

About N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine

N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine (PubChem CID 115051899) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine
PubChem CID115051899
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-3-16(4-2)11-14(8-9-14)12-6-5-7-13(15)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyOYUYHQDOAYDTRQ-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
N-ethyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019776
N-ethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63154834
1-bromo-3-[1-(ethylsulfanylmethyl)cyclobutyl]benzene
CID 115052251
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1-diethylguanidine
CID 111077393
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
1-bromo-3-[1-(isocyanatomethyl)cyclopropyl]benzene
CID 82087865
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-ethyl-1,1-dimethylguanidine;hydroiodide
CID 111572858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine (CID 115051899) is N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine is CCN(CC)CC1(c2cccc(Br)c2)CC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine?
The InChIKey is OYUYHQDOAYDTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-16(4-2)11-14(8-9-14)12-6-5-7-13(15)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine?
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine has a molecular weight of 282.22 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 115051899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).