N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine

C19H31NO — CID 105349666

IUPACN-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCNCCc1ccc(COC2CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-15-11-18(13-19(2,3)12-15)21-14-17-7-5-16(6-8-17)9-10-20-4/h5-8,15,18,20H,9-14H2,1-4H3
InChIKeyDZXGXCDJPFPGOA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.18
Rot. Bonds6

About N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine

N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine (PubChem CID 105349666) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
PubChem CID105349666
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCNCCc1ccc(COC2CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-15-11-18(13-19(2,3)12-15)21-14-17-7-5-16(6-8-17)9-10-20-4/h5-8,15,18,20H,9-14H2,1-4H3
InChIKeyDZXGXCDJPFPGOA-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine (CID 105349666) is N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine is CNCCc1ccc(COC2CC(C)CC(C)(C)C2)cc1.
What is the InChIKey of N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine?
The InChIKey is DZXGXCDJPFPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-11-18(13-19(2,3)12-15)21-14-17-7-5-16(6-8-17)9-10-20-4/h5-8,15,18,20H,9-14H2,1-4H3.
What are the key properties of N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine?
N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine is sourced from PubChem (CID 105349666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).