[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine

C18H29NO2 — CID 62109697

IUPAC[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCOc2ccccc2)CC1
InChIInChI=1S/C18H29NO2/c1-2-6-16-9-11-18(15-19,12-10-16)21-14-13-20-17-7-4-3-5-8-17/h3-5,7-8,16H,2,6,9-15,19H2,1H3
InChIKeyPZLXEGKHJGFGCU-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.77
Rot. Bonds8

About [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine

[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine (PubChem CID 62109697) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine
PubChem CID62109697
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCOc2ccccc2)CC1
InChIInChI=1S/C18H29NO2/c1-2-6-16-9-11-18(15-19,12-10-16)21-14-13-20-17-7-4-3-5-8-17/h3-5,7-8,16H,2,6,9-15,19H2,1H3
InChIKeyPZLXEGKHJGFGCU-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
CID 65051676
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771
[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
CID 82832044
(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
CID 65052803
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
1-[2-[1-(aminomethyl)-4-propylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65052804
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine (CID 62109697) is [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCCOc2ccccc2)CC1.
What is the InChIKey of [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is PZLXEGKHJGFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-6-16-9-11-18(15-19,12-10-16)21-14-13-20-17-7-4-3-5-8-17/h3-5,7-8,16H,2,6,9-15,19H2,1H3.
What are the key properties of [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine?
[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 291.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 62109697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).