1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine

C17H23NO — CID 81403395

IUPAC1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h6-13,16,18H,4-5H2,1-3H3/t13-,16?/m1/s1
InChIKeyPGNOSBQVIALARC-JBZHPUCOSA-N
MW257.38 g/mol
LogP4.64
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine

1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 81403395) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID81403395
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h6-13,16,18H,4-5H2,1-3H3/t13-,16?/m1/s1
InChIKeyPGNOSBQVIALARC-JBZHPUCOSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81391321
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81399477
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 81403421
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine (CID 81403395) is 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine is CCc1ccc(C(CC)N[C@H](C)c2ccco2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is PGNOSBQVIALARC-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h6-13,16,18H,4-5H2,1-3H3/t13-,16?/m1/s1.
What are the key properties of 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81403395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).