2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine

C18H29NO — CID 62937483

IUPAC2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CCCOc1ccccc1
InChIInChI=1S/C18H29NO/c1-2-14-19-18-13-7-6-9-16(18)10-8-15-20-17-11-4-3-5-12-17/h3-5,11-12,16,18-19H,2,6-10,13-15H2,1H3
InChIKeyAJEGPQXRHYVJSJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.40
Rot. Bonds8

About 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine

2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine (PubChem CID 62937483) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
PubChem CID62937483
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CCCOc1ccccc1
InChIInChI=1S/C18H29NO/c1-2-14-19-18-13-7-6-9-16(18)10-8-15-20-17-11-4-3-5-12-17/h3-5,11-12,16,18-19H,2,6-10,13-15H2,1H3
InChIKeyAJEGPQXRHYVJSJ-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 81027435
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79576350
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
CID 57301084

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine (CID 62937483) is 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CCCOc1ccccc1.
What is the InChIKey of 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine?
The InChIKey is AJEGPQXRHYVJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-14-19-18-13-7-6-9-16(18)10-8-15-20-17-11-4-3-5-12-17/h3-5,11-12,16,18-19H,2,6-10,13-15H2,1H3.
What are the key properties of 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine?
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62937483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).