2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine

C18H29NO — CID 63475594

IUPAC2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1cc(C)ccc1C
InChIInChI=1S/C18H29NO/c1-5-15-9-10-16(19-6-2)18(12-15)20-17-11-13(3)7-8-14(17)4/h7-8,11,15-16,18-19H,5-6,9-10,12H2,1-4H3
InChIKeyBMNVIUNUDKXUBK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine

2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine (PubChem CID 63475594) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
PubChem CID63475594
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1cc(C)ccc1C
InChIInChI=1S/C18H29NO/c1-5-15-9-10-16(19-6-2)18(12-15)20-17-11-13(3)7-8-14(17)4/h7-8,11,15-16,18-19H,5-6,9-10,12H2,1-4H3
InChIKeyBMNVIUNUDKXUBK-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63500386
2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292294
2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63036050
2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63499477
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
2-cyclobutyloxy-N,4-diethylcyclohexan-1-amine
CID 62141386
2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
CID 63475423
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine (CID 63475594) is 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Oc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine?
The InChIKey is BMNVIUNUDKXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-15-9-10-16(19-6-2)18(12-15)20-17-11-13(3)7-8-14(17)4/h7-8,11,15-16,18-19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine?
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 63475594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).