N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine

C18H20BrNO — CID 114521545

IUPACN-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H20BrNO/c1-2-20-18(13-5-3-7-15(19)11-13)14-6-4-8-17(12-14)21-16-9-10-16/h3-8,11-12,16,18,20H,2,9-10H2,1H3
InChIKeyYLNWNRPFKYHDDS-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.69
Rot. Bonds6

About N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine

N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine (PubChem CID 114521545) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
PubChem CID114521545
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H20BrNO/c1-2-20-18(13-5-3-7-15(19)11-13)14-6-4-8-17(12-14)21-16-9-10-16/h3-8,11-12,16,18,20H,2,9-10H2,1H3
InChIKeyYLNWNRPFKYHDDS-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105051816
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine (CID 114521545) is N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine is CCNC(c1cccc(Br)c1)c1cccc(OC2CC2)c1.
What is the InChIKey of N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine?
The InChIKey is YLNWNRPFKYHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-2-20-18(13-5-3-7-15(19)11-13)14-6-4-8-17(12-14)21-16-9-10-16/h3-8,11-12,16,18,20H,2,9-10H2,1H3.
What are the key properties of N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine?
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114521545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).