N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine

C17H23NO — CID 63001796

IUPACN-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(C)(C)CC(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-17(2,3)11-16(15-7-5-4-6-8-15)18-12-14-9-10-19-13-14/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyLNJXNTFPJVNUEA-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.55
Rot. Bonds5

About N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine

N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 63001796) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
PubChem CID63001796
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(C)(C)CC(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-17(2,3)11-16(15-7-5-4-6-8-15)18-12-14-9-10-19-13-14/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyLNJXNTFPJVNUEA-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
CID 62133141
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
CID 63000908
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
CID 55180294
N-(furan-3-ylmethyl)aniline
CID 18938795

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine (CID 63001796) is N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine is CC(C)(C)CC(NCc1ccoc1)c1ccccc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is LNJXNTFPJVNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,3)11-16(15-7-5-4-6-8-15)18-12-14-9-10-19-13-14/h4-10,13,16,18H,11-12H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 63001796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).