N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine

C16H21NO — CID 81301586

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(C)cc(C(C)NC(C)c2ccco2)c1
InChIInChI=1S/C16H21NO/c1-11-8-12(2)10-15(9-11)13(3)17-14(4)16-6-5-7-18-16/h5-10,13-14,17H,1-4H3
InChIKeyANTLWICIYPQEHE-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.31
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine

N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 81301586) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID81301586
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(C)cc(C(C)NC(C)c2ccco2)c1
InChIInChI=1S/C16H21NO/c1-11-8-12(2)10-15(9-11)13(3)17-14(4)16-6-5-7-18-16/h5-10,13-14,17H,1-4H3
InChIKeyANTLWICIYPQEHE-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
(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
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(furan-2-yl)ethyl]ethanamine
CID 43535500
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine (CID 81301586) is N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine is Cc1cc(C)cc(C(C)NC(C)c2ccco2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is ANTLWICIYPQEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-8-12(2)10-15(9-11)13(3)17-14(4)16-6-5-7-18-16/h5-10,13-14,17H,1-4H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81301586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).