(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine

C15H19NO — CID 113488659

IUPAC(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2occc2C)cc1
InChIInChI=1S/C15H19NO/c1-11-4-6-14(7-5-11)13(3)16-10-15-12(2)8-9-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m0/s1
InChIKeyQUCZRURISYRWNL-ZDUSSCGKSA-N
MW229.32 g/mol
LogP3.75
Rot. Bonds4

About (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 113488659) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID113488659
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2occc2C)cc1
InChIInChI=1S/C15H19NO/c1-11-4-6-14(7-5-11)13(3)16-10-15-12(2)8-9-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m0/s1
InChIKeyQUCZRURISYRWNL-ZDUSSCGKSA-N
XLogP3.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 114985843
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
1-(2-methoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651493
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115652954
(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106885424
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
CID 103699283
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 113488659) is (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2occc2C)cc1.
What is the InChIKey of (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is QUCZRURISYRWNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-4-6-14(7-5-11)13(3)16-10-15-12(2)8-9-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 113488659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).