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

C18H21NO — CID 8004461

IUPAC(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CN[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-13-20-18-12-8-7-11-17(18)14-19-15(2)16-9-5-4-6-10-16/h3-12,15,19H,1,13-14H2,2H3/t15-/m1/s1
InChIKeyKGXAWXKBVOQQBC-OAHLLOKOSA-N
MW267.37 g/mol
LogP4.10
Rot. Bonds7

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

(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 8004461) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID8004461
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CN[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-13-20-18-12-8-7-11-17(18)14-19-15(2)16-9-5-4-6-10-16/h3-12,15,19H,1,13-14H2,2H3/t15-/m1/s1
InChIKeyKGXAWXKBVOQQBC-OAHLLOKOSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.10
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

(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 81369954
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
2-methyl-1-(1-phenylethyl)-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111982745
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
1-(5-chlorothiophen-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 43432624
2-methyl-1-(1-phenylethyl)-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111982744

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (CID 8004461) is (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccccc1CN[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is KGXAWXKBVOQQBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-13-20-18-12-8-7-11-17(18)14-19-15(2)16-9-5-4-6-10-16/h3-12,15,19H,1,13-14H2,2H3/t15-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 8004461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).