(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

C19H25NO — CID 81347473

IUPAC(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)21-19-7-5-6-17(12-19)13-20-16(4)18-10-8-15(3)9-11-18/h5-12,14,16,20H,13H2,1-4H3/t16-/m1/s1
InChIKeyASBWFBPJFINUMJ-MRXNPFEDSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds6

About (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 81347473) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID81347473
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)21-19-7-5-6-17(12-19)13-20-16(4)18-10-8-15(3)9-11-18/h5-12,14,16,20H,13H2,1-4H3/t16-/m1/s1
InChIKeyASBWFBPJFINUMJ-MRXNPFEDSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375061
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 81347473) is (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is Cc1ccc([C@@H](C)NCc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is ASBWFBPJFINUMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)21-19-7-5-6-17(12-19)13-20-16(4)18-10-8-15(3)9-11-18/h5-12,14,16,20H,13H2,1-4H3/t16-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81347473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).