(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine

C15H18ClNO2 — CID 93317247

IUPAC(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc([C@H](C)NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C15H18ClNO2/c1-3-18-13-6-4-12(5-7-13)11(2)17-10-14-8-9-15(16)19-14/h4-9,11,17H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyKQYTWAQAZYPHCP-NSHDSACASA-N
MW279.77 g/mol
LogP4.18
Rot. Bonds6

About (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine

(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine (PubChem CID 93317247) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
PubChem CID93317247
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc([C@H](C)NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C15H18ClNO2/c1-3-18-13-6-4-12(5-7-13)11(2)17-10-14-8-9-15(16)19-14/h4-9,11,17H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyKQYTWAQAZYPHCP-NSHDSACASA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 106816485
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine (CID 93317247) is (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc([C@H](C)NCc2ccc(Cl)o2)cc1.
What is the InChIKey of (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is KQYTWAQAZYPHCP-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-18-13-6-4-12(5-7-13)11(2)17-10-14-8-9-15(16)19-14/h4-9,11,17H,3,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 279.77 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 93317247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).