N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine

C11H19NO — CID 62999037

IUPACN-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
SMILESCCNC(C)C(C)Cc1ccco1
InChIInChI=1S/C11H19NO/c1-4-12-10(3)9(2)8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyQTJFWGPNUDNKMZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.46
Rot. Bonds5

About N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine

N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine (PubChem CID 62999037) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
PubChem CID62999037
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
SMILESCCNC(C)C(C)Cc1ccco1
InChIInChI=1S/C11H19NO/c1-4-12-10(3)9(2)8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyQTJFWGPNUDNKMZ-UHFFFAOYSA-N
XLogP2.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422
N-ethyl-2-(furan-2-yl)-1-pyridin-4-ylethanamine
CID 83175492
2-(2-ethylbutyl)furan
CID 68844643
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine (CID 62999037) is N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine is CCNC(C)C(C)Cc1ccco1.
What is the InChIKey of N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine?
The InChIKey is QTJFWGPNUDNKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12-10(3)9(2)8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3.
What are the key properties of N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine?
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 62999037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).