3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine

C18H29NO2 — CID 105035232

IUPAC3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine
SMILESCOCCOc1ccccc1C(N)CCC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-20-13-14-21-18-10-6-5-9-16(18)17(19)12-11-15-7-3-2-4-8-15/h5-6,9-10,15,17H,2-4,7-8,11-14,19H2,1H3
InChIKeyXGOJRQVJCTVNSF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds8

About 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine

3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine (PubChem CID 105035232) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine
PubChem CID105035232
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine
SMILESCOCCOc1ccccc1C(N)CCC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-20-13-14-21-18-10-6-5-9-16(18)17(19)12-11-15-7-3-2-4-8-15/h5-6,9-10,15,17H,2-4,7-8,11-14,19H2,1H3
InChIKeyXGOJRQVJCTVNSF-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.07
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-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclohexyl)methyl]hydrazine
CID 106831356
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
[(2,2-dimethylcyclopropyl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 107005838
1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
CID 43118223

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine (CID 105035232) is 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine is COCCOc1ccccc1C(N)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine?
The InChIKey is XGOJRQVJCTVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-20-13-14-21-18-10-6-5-9-16(18)17(19)12-11-15-7-3-2-4-8-15/h5-6,9-10,15,17H,2-4,7-8,11-14,19H2,1H3.
What are the key properties of 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine?
3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 105035232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).