(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

C16H20N2O — CID 125488138

IUPAC(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCON(C)CC[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-18(19-2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1
InChIKeyJNYNEFHFBSVHJN-OAHLLOKOSA-N
MW256.35 g/mol
LogP3.10
Rot. Bonds6

About (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 125488138) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
PubChem CID125488138
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCON(C)CC[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-18(19-2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1
InChIKeyJNYNEFHFBSVHJN-OAHLLOKOSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate
CID 10222746
4-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]-4-oxobut-2-enoic acid
CID 133052756
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
CID 90681228
(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 131708765
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 6433334
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 52949763

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (CID 125488138) is (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is CON(C)CC[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is JNYNEFHFBSVHJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(19-2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 125488138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).