N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine

C19H27NO — CID 66260331

IUPACN-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)CC)cc1)c1ccc(C)o1
InChIInChI=1S/C19H27NO/c1-6-19(4,5)16-11-9-15(10-12-16)18(20-7-2)17-13-8-14(3)21-17/h8-13,18,20H,6-7H2,1-5H3
InChIKeyUOMSGWGBDRGEQZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.97
Rot. Bonds6

About N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine

N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 66260331) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID66260331
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)CC)cc1)c1ccc(C)o1
InChIInChI=1S/C19H27NO/c1-6-19(4,5)16-11-9-15(10-12-16)18(20-7-2)17-13-8-14(3)21-17/h8-13,18,20H,6-7H2,1-5H3
InChIKeyUOMSGWGBDRGEQZ-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 116628607
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[(5-iodothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methyl]ethanamine
CID 79691325
[(4-tert-butylphenyl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 105300403
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine (CID 66260331) is N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(C(C)(C)CC)cc1)c1ccc(C)o1.
What is the InChIKey of N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is UOMSGWGBDRGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-19(4,5)16-11-9-15(10-12-16)18(20-7-2)17-13-8-14(3)21-17/h8-13,18,20H,6-7H2,1-5H3.
What are the key properties of N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine?
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 66260331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).