(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine

C16H19ClN2 — CID 131708765

IUPAC(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])N(CC[C@H](c1ccc(Cl)cc1)c1ccccn1)C([2H])([2H])[2H]
InChIInChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1/i1D3,2D3
InChIKeySOYKEARSMXGVTM-MSPWYDFVSA-N
MW280.83 g/mol
LogP3.82
Rot. Bonds7

About (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine

(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine (PubChem CID 131708765) has the molecular formula C16H19ClN2 and a molecular weight of 280.83 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
PubChem CID131708765
Molecular FormulaC16H19ClN2
Molecular Weight280.83 g/mol
Exact Mass280.16
IUPAC Name(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])N(CC[C@H](c1ccc(Cl)cc1)c1ccccn1)C([2H])([2H])[2H]
InChIInChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1/i1D3,2D3
InChIKeySOYKEARSMXGVTM-MSPWYDFVSA-N
XLogP3.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine (CID 131708765) is (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine is [2H]C([2H])([2H])N(CC[C@H](c1ccc(Cl)cc1)c1ccccn1)C([2H])([2H])[2H].
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine?
The InChIKey is SOYKEARSMXGVTM-MSPWYDFVSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1/i1D3,2D3.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine?
(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine has a molecular weight of 280.83 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine is sourced from PubChem (CID 131708765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).