N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine

C17H24ClNO — CID 114619767

IUPACN-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OC1C=CCCC1
InChIInChI=1S/C17H24ClNO/c1-3-11-19-13(2)16-12-14(18)9-10-17(16)20-15-7-5-4-6-8-15/h5,7,9-10,12-13,15,19H,3-4,6,8,11H2,1-2H3
InChIKeyMFPCUOVHYKOSRC-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.89
Rot. Bonds6

About N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine

N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine (PubChem CID 114619767) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine
PubChem CID114619767
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OC1C=CCCC1
InChIInChI=1S/C17H24ClNO/c1-3-11-19-13(2)16-12-14(18)9-10-17(16)20-15-7-5-4-6-8-15/h5,7,9-10,12-13,15,19H,3-4,6,8,11H2,1-2H3
InChIKeyMFPCUOVHYKOSRC-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine
CID 114619942
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
CID 114619989
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
CID 114620295

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine (CID 114619767) is N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1cc(Cl)ccc1OC1C=CCCC1.
What is the InChIKey of N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine?
The InChIKey is MFPCUOVHYKOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-11-19-13(2)16-12-14(18)9-10-17(16)20-15-7-5-4-6-8-15/h5,7,9-10,12-13,15,19H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine?
N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 114619767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).