3-(3-phenoxypropyl)cyclohex-2-en-1-amine

C15H21NO — CID 65171997

IUPAC3-(3-phenoxypropyl)cyclohex-2-en-1-amine
SMILESNC1C=C(CCCOc2ccccc2)CCC1
InChIInChI=1S/C15H21NO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12,14H,4-8,11,16H2
InChIKeyVAKIHWOFDBWYDI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.28
Rot. Bonds5

About 3-(3-phenoxypropyl)cyclohex-2-en-1-amine

3-(3-phenoxypropyl)cyclohex-2-en-1-amine (PubChem CID 65171997) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(3-phenoxypropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-phenoxypropyl)cyclohex-2-en-1-amine
PubChem CID65171997
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(3-phenoxypropyl)cyclohex-2-en-1-amine
SMILESNC1C=C(CCCOc2ccccc2)CCC1
InChIInChI=1S/C15H21NO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12,14H,4-8,11,16H2
InChIKeyVAKIHWOFDBWYDI-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenoxypropyl)cyclohept-2-en-1-amine
CID 107383088
3-(cyclopropen-1-yl)propoxybenzene
CID 67452445
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
3-(2-phenoxyethoxy)cyclohexan-1-one
CID 79619233
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
3-phenoxypropane-1-thiol
CID 18792707
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532725

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(3-phenoxypropyl)cyclohex-2-en-1-amine (CID 65171997) is 3-(3-phenoxypropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-phenoxypropyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-phenoxypropyl)cyclohex-2-en-1-amine is NC1C=C(CCCOc2ccccc2)CCC1.
What is the InChIKey of 3-(3-phenoxypropyl)cyclohex-2-en-1-amine?
The InChIKey is VAKIHWOFDBWYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12,14H,4-8,11,16H2.
What are the key properties of 3-(3-phenoxypropyl)cyclohex-2-en-1-amine?
3-(3-phenoxypropyl)cyclohex-2-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65171997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).