N-deuterio-1-phenylpropan-2-amine

C9H13N — CID 54017748

IUPACN-deuterio-1-phenylpropan-2-amine
SMILES[2H]NC(C)Cc1ccccc1
InChIInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i/hD
InChIKeyKWTSXDURSIMDCE-DYCDLGHISA-N
MW136.22 g/mol
LogP1.58
Rot. Bonds3

About N-deuterio-1-phenylpropan-2-amine

N-deuterio-1-phenylpropan-2-amine (PubChem CID 54017748) has the molecular formula C9H13N and a molecular weight of 136.22 g/mol. Its IUPAC name is N-deuterio-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-deuterio-1-phenylpropan-2-amine
PubChem CID54017748
Molecular FormulaC9H13N
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC NameN-deuterio-1-phenylpropan-2-amine
SMILES[2H]NC(C)Cc1ccccc1
InChIInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i/hD
InChIKeyKWTSXDURSIMDCE-DYCDLGHISA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
1-amino-2-phenylethanethiol;1-phenylpropan-2-amine
CID 160760295
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
ethane;2-methylpropylbenzene
CID 162200929
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
sodium;hydride;1-phenylpropan-2-ol
CID 175039142

Frequently Asked Questions

What is the IUPAC name of N-deuterio-1-phenylpropan-2-amine?
The IUPAC name of N-deuterio-1-phenylpropan-2-amine (CID 54017748) is N-deuterio-1-phenylpropan-2-amine.
What is the SMILES notation for N-deuterio-1-phenylpropan-2-amine?
The canonical SMILES for N-deuterio-1-phenylpropan-2-amine is [2H]NC(C)Cc1ccccc1.
What is the InChIKey of N-deuterio-1-phenylpropan-2-amine?
The InChIKey is KWTSXDURSIMDCE-DYCDLGHISA-N. The full InChI is InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i/hD.
What are the key properties of N-deuterio-1-phenylpropan-2-amine?
N-deuterio-1-phenylpropan-2-amine has a molecular weight of 136.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-1-phenylpropan-2-amine is sourced from PubChem (CID 54017748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).