2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine

C18H29NO — CID 139927519

IUPAC2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
SMILESCOCC(CN(C)C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-19(2)14-18(15-20-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKeyJWROIRQPHGNSGL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds6

About 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine

2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine (PubChem CID 139927519) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
PubChem CID139927519
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
SMILESCOCC(CN(C)C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-19(2)14-18(15-20-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKeyJWROIRQPHGNSGL-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine (CID 139927519) is 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine is COCC(CN(C)C)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
The InChIKey is JWROIRQPHGNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-19(2)14-18(15-20-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3.
What are the key properties of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 139927519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).