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

C19H23NO — CID 81369954

IUPAC(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C19H23NO/c1-4-12-21-19-11-6-5-9-18(19)14-20-16(3)17-10-7-8-15(2)13-17/h4-11,13,16,20H,1,12,14H2,2-3H3/t16-/m0/s1
InChIKeyBJWCFCRRPMBAHU-INIZCTEOSA-N
MW281.40 g/mol
LogP4.41
Rot. Bonds7

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

(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 81369954) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID81369954
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C19H23NO/c1-4-12-21-19-11-6-5-9-18(19)14-20-16(3)17-10-7-8-15(2)13-17/h4-11,13,16,20H,1,12,14H2,2-3H3/t16-/m0/s1
InChIKeyBJWCFCRRPMBAHU-INIZCTEOSA-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-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
1-(5-chlorothiophen-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 43432624
N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7387007
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (CID 81369954) is (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccccc1CN[C@@H](C)c1cccc(C)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is BJWCFCRRPMBAHU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-12-21-19-11-6-5-9-18(19)14-20-16(3)17-10-7-8-15(2)13-17/h4-11,13,16,20H,1,12,14H2,2-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
(1S)-1-(3-methylphenyl)-N-[(2-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 (1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81369954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).