1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine

C17H22ClNO2 — CID 63460664

IUPAC1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCc1cc(OC(c2ccc(C)o2)C(N)CC)ccc1Cl
InChIInChI=1S/C17H22ClNO2/c1-4-12-10-13(7-8-14(12)18)21-17(15(19)5-2)16-9-6-11(3)20-16/h6-10,15,17H,4-5,19H2,1-3H3
InChIKeyUVIPTBOPDBVPQQ-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.66
Rot. Bonds6

About 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine

1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine (PubChem CID 63460664) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
PubChem CID63460664
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCc1cc(OC(c2ccc(C)o2)C(N)CC)ccc1Cl
InChIInChI=1S/C17H22ClNO2/c1-4-12-10-13(7-8-14(12)18)21-17(15(19)5-2)16-9-6-11(3)20-16/h6-10,15,17H,4-5,19H2,1-3H3
InChIKeyUVIPTBOPDBVPQQ-UHFFFAOYSA-N
XLogP4.66
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 83233186
4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine
CID 63459202
1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63269237
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
CID 102980652
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63460438
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine (CID 63460664) is 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine is CCc1cc(OC(c2ccc(C)o2)C(N)CC)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The InChIKey is UVIPTBOPDBVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-4-12-10-13(7-8-14(12)18)21-17(15(19)5-2)16-9-6-11(3)20-16/h6-10,15,17H,4-5,19H2,1-3H3.
What are the key properties of 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine is sourced from PubChem (CID 63460664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).