(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene

C18H25N — CID 174875624

IUPAC(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
SMILESCN[C@@H](C)Cc1ccccc1.Cc1ccc(C)cc1
InChIInChI=1S/C10H15N.C8H10/c1-9(11-2)8-10-6-4-3-5-7-10;1-7-3-5-8(2)6-4-7/h3-7,9,11H,8H2,1-2H3;3-6H,1-2H3/t9-;/m0./s1
InChIKeyYWONKDREFZUABW-FVGYRXGTSA-N
MW255.41 g/mol
LogP4.14
Rot. Bonds3

About (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene

(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene (PubChem CID 174875624) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene.

Molecular Properties

Compound Name(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
PubChem CID174875624
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
SMILESCN[C@@H](C)Cc1ccccc1.Cc1ccc(C)cc1
InChIInChI=1S/C10H15N.C8H10/c1-9(11-2)8-10-6-4-3-5-7-10;1-7-3-5-8(2)6-4-7/h3-7,9,11H,8H2,1-2H3;3-6H,1-2H3/t9-;/m0./s1
InChIKeyYWONKDREFZUABW-FVGYRXGTSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-phenylpropan-2-amine
CID 118309477
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
CID 143236357
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
CID 69021871
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
(2S)-1-(2,6-ditritiophenyl)-N-methylpropan-2-amine
CID 44607335

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene?
The IUPAC name of (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene (CID 174875624) is (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene.
What is the SMILES notation for (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene?
The canonical SMILES for (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene is CN[C@@H](C)Cc1ccccc1.Cc1ccc(C)cc1.
What is the InChIKey of (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene?
The InChIKey is YWONKDREFZUABW-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15N.C8H10/c1-9(11-2)8-10-6-4-3-5-7-10;1-7-3-5-8(2)6-4-7/h3-7,9,11H,8H2,1-2H3;3-6H,1-2H3/t9-;/m0./s1.
What are the key properties of (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene?
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene has a molecular weight of 255.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene is sourced from PubChem (CID 174875624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).