(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine

C17H18N2O — CID 28648846

IUPAC(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESC#CCOc1ccccc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C17H18N2O/c1-3-12-20-17-10-5-4-8-15(17)13-19-14(2)16-9-6-7-11-18-16/h1,4-11,14,19H,12-13H2,2H3/t14-/m1/s1
InChIKeyOHYFRYHIOKYKGC-CQSZACIVSA-N
MW266.34 g/mol
LogP2.94
Rot. Bonds6

About (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 28648846) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID28648846
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESC#CCOc1ccccc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C17H18N2O/c1-3-12-20-17-10-5-4-8-15(17)13-19-14(2)16-9-6-7-11-18-16/h1,4-11,14,19H,12-13H2,2H3/t14-/m1/s1
InChIKeyOHYFRYHIOKYKGC-CQSZACIVSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
3-[(2-prop-2-ynoxyphenyl)methylamino]butanamide
CID 113250252
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581
N-(2-prop-2-ynylsulfanylethyl)-1-pyridin-2-ylethanamine
CID 115891511
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
(1R)-N-[(2-phenylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 69062118

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine (CID 28648846) is (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine is C#CCOc1ccccc1CN[C@H](C)c1ccccn1.
What is the InChIKey of (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is OHYFRYHIOKYKGC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-12-20-17-10-5-4-8-15(17)13-19-14(2)16-9-6-7-11-18-16/h1,4-11,14,19H,12-13H2,2H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 266.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 28648846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).