N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine

C20H33NO — CID 57252998

IUPACN-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)Cc1ccccc1
InChIInChI=1S/C20H33NO/c1-16(2)19-11-10-17(3)14-20(19)22-13-12-21(4)15-18-8-6-5-7-9-18/h5-9,16-17,19-20H,10-15H2,1-4H3/t17-,19+,20-/m1/s1
InChIKeyTWGPCYFMQRPRCE-YZGWKJHDSA-N
MW303.49 g/mol
LogP4.60
Rot. Bonds7

About N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine

N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine (PubChem CID 57252998) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
PubChem CID57252998
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)Cc1ccccc1
InChIInChI=1S/C20H33NO/c1-16(2)19-11-10-17(3)14-20(19)22-13-12-21(4)15-18-8-6-5-7-9-18/h5-9,16-17,19-20H,10-15H2,1-4H3/t17-,19+,20-/m1/s1
InChIKeyTWGPCYFMQRPRCE-YZGWKJHDSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine with MolForge

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Related Compounds

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CID 23847522
N,N-diethyl-2-[(1R,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride
CID 70682929
N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride
CID 70695519
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CID 72737772
Benzenemethanaminium, N-[2-(dodecyloxy)ethyl]-N,N-dimethyl-, chloride
CID 11965151
CID 11958898
CID 11958898
4-[4-(Morpholin-4-ylmethyl)phenyl]cyclohexan-1-ol
CID 21843690
4-(4-Isopropylbenzyl)morpholine
CID 782758
Ammonium, benzyldimethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide
CID 37238
Ammonium, benzyldiethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide
CID 37242
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CID 118260

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
The IUPAC name of N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine (CID 57252998) is N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
The InChIKey is TWGPCYFMQRPRCE-YZGWKJHDSA-N. The full InChI is InChI=1S/C20H33NO/c1-16(2)19-11-10-17(3)14-20(19)22-13-12-21(4)15-18-8-6-5-7-9-18/h5-9,16-17,19-20H,10-15H2,1-4H3/t17-,19+,20-/m1/s1.
What are the key properties of N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine has a molecular weight of 303.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanamine is sourced from PubChem (CID 57252998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).