N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine

C18H29NO2 — CID 62573100

IUPACN-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
SMILESCCCOc1ccccc1OCCCNC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-2-14-20-17-11-6-7-12-18(17)21-15-8-13-19-16-9-4-3-5-10-16/h6-7,11-12,16,19H,2-5,8-10,13-15H2,1H3
InChIKeyYPIQUDGLCNYLOH-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.17
Rot. Bonds9

About N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine

N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine (PubChem CID 62573100) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
PubChem CID62573100
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
SMILESCCCOc1ccccc1OCCCNC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-2-14-20-17-11-6-7-12-18(17)21-15-8-13-19-16-9-4-3-5-10-16/h6-7,11-12,16,19H,2-5,8-10,13-15H2,1H3
InChIKeyYPIQUDGLCNYLOH-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.17
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

N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
CID 54809931
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-cyclohexyl-2-propoxyaniline
CID 43682292
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine (CID 62573100) is N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine is CCCOc1ccccc1OCCCNC1CCCCC1.
What is the InChIKey of N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine?
The InChIKey is YPIQUDGLCNYLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-14-20-17-11-6-7-12-18(17)21-15-8-13-19-16-9-4-3-5-10-16/h6-7,11-12,16,19H,2-5,8-10,13-15H2,1H3.
What are the key properties of N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine?
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine has a molecular weight of 291.44 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 62573100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).