(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

C19H23NO — CID 28556156

IUPAC(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)c2ccccc2C)cc1
InChIInChI=1S/C19H23NO/c1-4-13-21-18-11-9-17(10-12-18)14-20-16(3)19-8-6-5-7-15(19)2/h4-12,16,20H,1,13-14H2,2-3H3/t16-/m1/s1
InChIKeyIKWKHFHVVPKLET-MRXNPFEDSA-N
MW281.40 g/mol
LogP4.41
Rot. Bonds7

About (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 28556156) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID28556156
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)c2ccccc2C)cc1
InChIInChI=1S/C19H23NO/c1-4-13-21-18-11-9-17(10-12-18)14-20-16(3)19-8-6-5-7-15(19)2/h4-12,16,20H,1,13-14H2,2-3H3/t16-/m1/s1
InChIKeyIKWKHFHVVPKLET-MRXNPFEDSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182769
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide
CID 95296233
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28623629
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
CID 115524148
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (CID 28556156) is (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(CN[C@H](C)c2ccccc2C)cc1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is IKWKHFHVVPKLET-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-13-21-18-11-9-17(10-12-18)14-20-16(3)19-8-6-5-7-15(19)2/h4-12,16,20H,1,13-14H2,2-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 28556156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).