4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine

C17H23NO — CID 81349893

IUPAC4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
SMILESCc1ccc([C@H](C)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-13-6-9-16(10-7-13)15(3)18-14(2)8-11-17-5-4-12-19-17/h4-7,9-10,12,14-15,18H,8,11H2,1-3H3/t14?,15-/m0/s1
InChIKeySOZJHSAGRRZPDQ-LOACHALJSA-N
MW257.38 g/mol
LogP4.26
Rot. Bonds6

About 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine

4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine (PubChem CID 81349893) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
PubChem CID81349893
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
SMILESCc1ccc([C@H](C)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-13-6-9-16(10-7-13)15(3)18-14(2)8-11-17-5-4-12-19-17/h4-7,9-10,12,14-15,18H,8,11H2,1-3H3/t14?,15-/m0/s1
InChIKeySOZJHSAGRRZPDQ-LOACHALJSA-N
XLogP4.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
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
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 103776057
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine (CID 81349893) is 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine is Cc1ccc([C@H](C)NC(C)CCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine?
The InChIKey is SOZJHSAGRRZPDQ-LOACHALJSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-6-9-16(10-7-13)15(3)18-14(2)8-11-17-5-4-12-19-17/h4-7,9-10,12,14-15,18H,8,11H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of 4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine?
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.26, 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-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 81349893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).