N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C17H29NO2 — CID 116769580

IUPACN-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccoc1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H29NO2/c1-5-18-15(12-14-6-11-20-13-14)17(19-4)9-7-16(2,3)8-10-17/h6,11,13,15,18H,5,7-10,12H2,1-4H3
InChIKeyMRHGIBDVJDKTGF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769580) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769580
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccoc1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H29NO2/c1-5-18-15(12-14-6-11-20-13-14)17(19-4)9-7-16(2,3)8-10-17/h6,11,13,15,18H,5,7-10,12H2,1-4H3
InChIKeyMRHGIBDVJDKTGF-UHFFFAOYSA-N
XLogP3.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769556
N-ethyl-1-(furan-3-yl)-4-methoxybutan-2-amine
CID 83176013
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
4-[2-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]pyridin-2-amine
CID 116714708
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769580) is N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is CCNC(Cc1ccoc1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is MRHGIBDVJDKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-18-15(12-14-6-11-20-13-14)17(19-4)9-7-16(2,3)8-10-17/h6,11,13,15,18H,5,7-10,12H2,1-4H3.
What are the key properties of N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).