N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine

C17H23NO2 — CID 81403664

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-4-11-19-16-9-7-15(8-10-16)13(2)18-14(3)17-6-5-12-20-17/h5-10,12-14,18H,4,11H2,1-3H3/t13?,14-/m1/s1
InChIKeyKUCMVXVRQQRSSS-ARLHGKGLSA-N
MW273.38 g/mol
LogP4.48
Rot. Bonds7

About N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine

N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 81403664) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID81403664
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-4-11-19-16-9-7-15(8-10-16)13(2)18-14(3)17-6-5-12-20-17/h5-10,12-14,18H,4,11H2,1-3H3/t13?,14-/m1/s1
InChIKeyKUCMVXVRQQRSSS-ARLHGKGLSA-N
XLogP4.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.48
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
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103893640
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine (CID 81403664) is N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)N[C@H](C)c2ccco2)cc1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is KUCMVXVRQQRSSS-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-11-19-16-9-7-15(8-10-16)13(2)18-14(3)17-6-5-12-20-17/h5-10,12-14,18H,4,11H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 81403664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).