N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine

C18H29NO — CID 62108282

IUPACN-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCCCC1C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-14(2)19-13-18(16-10-5-4-6-11-16)20-17-12-8-7-9-15(17)3/h4-6,10-11,14-15,17-19H,7-9,12-13H2,1-3H3
InChIKeyZHQGPRYWVVLHGW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine

N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine (PubChem CID 62108282) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
PubChem CID62108282
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCCCC1C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-14(2)19-13-18(16-10-5-4-6-11-16)20-17-12-8-7-9-15(17)3/h4-6,10-11,14-15,17-19H,7-9,12-13H2,1-3H3
InChIKeyZHQGPRYWVVLHGW-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine
CID 62444144
2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
CID 62444537
2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107386
2-(3-chlorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 55036427
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
2-(2-fluorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107035
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
CID 55018005
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
CID 79183761

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine (CID 62108282) is N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine is CC(C)NCC(OC1CCCCC1C)c1ccccc1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine?
The InChIKey is ZHQGPRYWVVLHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)19-13-18(16-10-5-4-6-11-16)20-17-12-8-7-9-15(17)3/h4-6,10-11,14-15,17-19H,7-9,12-13H2,1-3H3.
What are the key properties of N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine?
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 62108282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).