4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine

C16H21NO — CID 43182410

IUPAC4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
SMILESCC(CCc1ccco1)NC(C)c1ccccc1
InChIInChI=1S/C16H21NO/c1-13(10-11-16-9-6-12-18-16)17-14(2)15-7-4-3-5-8-15/h3-9,12-14,17H,10-11H2,1-2H3
InChIKeyLTBGGRGNLAIHRK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.95
Rot. Bonds6

About 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine

4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine (PubChem CID 43182410) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
PubChem CID43182410
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
SMILESCC(CCc1ccco1)NC(C)c1ccccc1
InChIInChI=1S/C16H21NO/c1-13(10-11-16-9-6-12-18-16)17-14(2)15-7-4-3-5-8-15/h3-9,12-14,17H,10-11H2,1-2H3
InChIKeyLTBGGRGNLAIHRK-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine (CID 43182410) is 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine is CC(CCc1ccco1)NC(C)c1ccccc1.
What is the InChIKey of 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine?
The InChIKey is LTBGGRGNLAIHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(10-11-16-9-6-12-18-16)17-14(2)15-7-4-3-5-8-15/h3-9,12-14,17H,10-11H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine?
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine is sourced from PubChem (CID 43182410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).