N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine

C17H23NO2 — CID 43776737

IUPACN-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)c2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-13(18-14(2)17-5-4-12-20-17)6-7-15-8-10-16(19-3)11-9-15/h4-5,8-14,18H,6-7H2,1-3H3
InChIKeyKDLMBZDXLHUHLE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine

N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 43776737) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
PubChem CID43776737
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)c2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-13(18-14(2)17-5-4-12-20-17)6-7-15-8-10-16(19-3)11-9-15/h4-5,8-14,18H,6-7H2,1-3H3
InChIKeyKDLMBZDXLHUHLE-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
[1-(furan-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105213476
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 110908541
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine (CID 43776737) is N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NC(C)c2ccco2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is KDLMBZDXLHUHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(18-14(2)17-5-4-12-20-17)6-7-15-8-10-16(19-3)11-9-15/h4-5,8-14,18H,6-7H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 43776737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).