(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride

C17H22ClN — CID 11558159

IUPAC(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride
SMILESC[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
InChIKeyANFSNXAXVLRZCG-RSAXXLAASA-N
MW275.82 g/mol
LogP4.17
Rot. Bonds5

About (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride

(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride (PubChem CID 11558159) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride
PubChem CID11558159
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride
SMILESC[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
InChIKeyANFSNXAXVLRZCG-RSAXXLAASA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride?
The IUPAC name of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride (CID 11558159) is (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride is C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is ANFSNXAXVLRZCG-RSAXXLAASA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride?
(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 11558159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).