(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

C19H25NO — CID 81363781

IUPAC(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CN[C@@H](C)c2ccccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-12-21-18-10-7-9-17(13-18)14-20-16(3)19-11-6-5-8-15(19)2/h5-11,13,16,20H,4,12,14H2,1-3H3/t16-/m0/s1
InChIKeyOHEODMWECQCCEL-INIZCTEOSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds7

About (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 81363781) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID81363781
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CN[C@@H](C)c2ccccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-12-21-18-10-7-9-17(13-18)14-20-16(3)19-11-6-5-8-15(19)2/h5-11,13,16,20H,4,12,14H2,1-3H3/t16-/m0/s1
InChIKeyOHEODMWECQCCEL-INIZCTEOSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
CID 113407229
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
4-methyl-2-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 61247010

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 81363781) is (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CN[C@@H](C)c2ccccc2C)c1.
What is the InChIKey of (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is OHEODMWECQCCEL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-12-21-18-10-7-9-17(13-18)14-20-16(3)19-11-6-5-8-15(19)2/h5-11,13,16,20H,4,12,14H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81363781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).