(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine

C27H40N2 — CID 68763740

IUPAC(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine
SMILESCN[C@@H](C)Cc1ccccc1.c1ccc(C2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C17H25N.C10H15N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(11-2)8-10-6-4-3-5-7-10/h1,4-5,10-11H,2-3,6-9,12-15H2;3-7,9,11H,8H2,1-2H3/t;9-/m.0/s1
InChIKeyRHHKYWDRBFIMJF-NPULLEENSA-N
MW392.63 g/mol
LogP6.17
Rot. Bonds5

About (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine

(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine (PubChem CID 68763740) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine.

Molecular Properties

Compound Name(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine
PubChem CID68763740
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC Name(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine
SMILESCN[C@@H](C)Cc1ccccc1.c1ccc(C2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C17H25N.C10H15N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(11-2)8-10-6-4-3-5-7-10/h1,4-5,10-11H,2-3,6-9,12-15H2;3-7,9,11H,8H2,1-2H3/t;9-/m.0/s1
InChIKeyRHHKYWDRBFIMJF-NPULLEENSA-N
XLogP6.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
CID 11971660
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
1-[1-(4-phenylphenyl)cyclohexyl]piperidine
CID 12704483
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579
(2R)-N-methyl-1-phenyl-3-piperidin-1-ylpropan-2-amine
CID 101204001
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
(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-(1-phenylcyclohexyl)piperidine?
The IUPAC name of (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine (CID 68763740) is (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine.
What is the SMILES notation for (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine?
The canonical SMILES for (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine is CN[C@@H](C)Cc1ccccc1.c1ccc(C2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine?
The InChIKey is RHHKYWDRBFIMJF-NPULLEENSA-N. The full InChI is InChI=1S/C17H25N.C10H15N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(11-2)8-10-6-4-3-5-7-10/h1,4-5,10-11H,2-3,6-9,12-15H2;3-7,9,11H,8H2,1-2H3/t;9-/m.0/s1.
What are the key properties of (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine?
(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine has a molecular weight of 392.63 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine is sourced from PubChem (CID 68763740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).