(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride

C11H18ClN — CID 71316446

IUPAC(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H/t10-;/m0./s1/i1D3,3D2;
InChIKeyHFBTZBOJTFIRAS-YIXJNHQASA-N
MW204.76 g/mol
LogP2.65
Rot. Bonds5

About (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride

(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride (PubChem CID 71316446) has the molecular formula C11H18ClN and a molecular weight of 204.76 g/mol. Its IUPAC name is (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride
PubChem CID71316446
Molecular FormulaC11H18ClN
Molecular Weight204.76 g/mol
Exact Mass204.14
IUPAC Name(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H/t10-;/m0./s1/i1D3,3D2;
InChIKeyHFBTZBOJTFIRAS-YIXJNHQASA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenylpropan-2-ylamino)methanol
CID 54463712
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
N-methyl-1-phenylpropan-2-amine
CID 118309477
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride?
The IUPAC name of (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride (CID 71316446) is (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])([2H])N[C@@H](C)Cc1ccccc1.
What is the InChIKey of (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is HFBTZBOJTFIRAS-YIXJNHQASA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H/t10-;/m0./s1/i1D3,3D2;.
What are the key properties of (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride?
(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 204.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 71316446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).