1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine

C17H27NO — CID 79574267

IUPAC1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H27NO/c1-14(2)19-13-16(18)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13,18H2,1-2H3
InChIKeyIPYYXTHTQSZVOI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds5

About 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine

1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine (PubChem CID 79574267) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
PubChem CID79574267
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H27NO/c1-14(2)19-13-16(18)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13,18H2,1-2H3
InChIKeyIPYYXTHTQSZVOI-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
CID 63080300
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
3-methyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 63417669
3-methoxy-1-(1-phenylcyclopentyl)propan-1-amine
CID 114993811
1-(1-phenylcyclohexyl)pent-3-yn-1-amine
CID 63079549
1-(1-phenylcyclohexyl)octan-1-amine
CID 63417810
3-methyl-1-(1-phenylcyclopentyl)but-3-en-1-amine
CID 79185586
2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine
CID 79180082
2-ethoxy-1-(4-phenyloxan-4-yl)ethanamine
CID 79575662
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417582

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine (CID 79574267) is 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine?
The InChIKey is IPYYXTHTQSZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)19-13-16(18)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13,18H2,1-2H3.
What are the key properties of 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine?
1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79574267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).