N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine

C16H21NO — CID 83175711

IUPACN-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C16H21NO/c1-3-17-15(12-16-8-5-9-18-16)11-14-7-4-6-13(2)10-14/h4-10,15,17H,3,11-12H2,1-2H3
InChIKeySANABFCWFJGOKM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine

N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine (PubChem CID 83175711) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
PubChem CID83175711
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C16H21NO/c1-3-17-15(12-16-8-5-9-18-16)11-14-7-4-6-13(2)10-14/h4-10,15,17H,3,11-12H2,1-2H3
InChIKeySANABFCWFJGOKM-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
N-ethyl-1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-amine
CID 83182860
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 105091118

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine (CID 83175711) is N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine is CCNC(Cc1cccc(C)c1)Cc1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine?
The InChIKey is SANABFCWFJGOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-17-15(12-16-8-5-9-18-16)11-14-7-4-6-13(2)10-14/h4-10,15,17H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine?
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 83175711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).