N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine

C16H21NO — CID 43625464

IUPACN-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1ccoc1
InChIInChI=1S/C16H21NO/c1-4-17-16(15-9-10-18-11-15)14-7-5-13(6-8-14)12(2)3/h5-12,16-17H,4H2,1-3H3
InChIKeyHRJIWTJQPANHHP-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.10
Rot. Bonds5

About N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine

N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 43625464) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID43625464
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1ccoc1
InChIInChI=1S/C16H21NO/c1-4-17-16(15-9-10-18-11-15)14-7-5-13(6-8-14)12(2)3/h5-12,16-17H,4H2,1-3H3
InChIKeyHRJIWTJQPANHHP-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine
CID 114269039
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302725
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-[furan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360300
N-[(2,6-dimethyl-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107503716

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine (CID 43625464) is N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1)c1ccoc1.
What is the InChIKey of N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is HRJIWTJQPANHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-17-16(15-9-10-18-11-15)14-7-5-13(6-8-14)12(2)3/h5-12,16-17H,4H2,1-3H3.
What are the key properties of N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine?
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43625464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).