(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine

C17H21NO2 — CID 81403675

IUPAC(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCOc1ccc(C(N[C@H](C)c2ccco2)C2CC2)cc1
InChIInChI=1S/C17H21NO2/c1-12(16-4-3-11-20-16)18-17(13-5-6-13)14-7-9-15(19-2)10-8-14/h3-4,7-13,17-18H,5-6H2,1-2H3/t12-,17?/m1/s1
InChIKeyYWNYQGQUKYHXJN-MTATWXBHSA-N
MW271.36 g/mol
LogP4.09
Rot. Bonds6

About (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine

(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81403675) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81403675
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCOc1ccc(C(N[C@H](C)c2ccco2)C2CC2)cc1
InChIInChI=1S/C17H21NO2/c1-12(16-4-3-11-20-16)18-17(13-5-6-13)14-7-9-15(19-2)10-8-14/h3-4,7-13,17-18H,5-6H2,1-2H3/t12-,17?/m1/s1
InChIKeyYWNYQGQUKYHXJN-MTATWXBHSA-N
XLogP4.09
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209383
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783067
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine (CID 81403675) is (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine is COc1ccc(C(N[C@H](C)c2ccco2)C2CC2)cc1.
What is the InChIKey of (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is YWNYQGQUKYHXJN-MTATWXBHSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(16-4-3-11-20-16)18-17(13-5-6-13)14-7-9-15(19-2)10-8-14/h3-4,7-13,17-18H,5-6H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).