N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine

C21H27NO2 — CID 54797686

IUPACN-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
SMILESc1ccc(OCCOc2ccc(CNC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-7-19(8-4-1)22-17-18-11-13-21(14-12-18)24-16-15-23-20-9-5-2-6-10-20/h2,5-6,9-14,19,22H,1,3-4,7-8,15-17H2
InChIKeyDNLWPSMICWHRHD-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.57
Rot. Bonds8

About N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine

N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine (PubChem CID 54797686) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
PubChem CID54797686
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
SMILESc1ccc(OCCOc2ccc(CNC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-7-19(8-4-1)22-17-18-11-13-21(14-12-18)24-16-15-23-20-9-5-2-6-10-20/h2,5-6,9-14,19,22H,1,3-4,7-8,15-17H2
InChIKeyDNLWPSMICWHRHD-UHFFFAOYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.57
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-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
4-[(cyclohexylamino)methyl]-N-phenylaniline
CID 69114747
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
4-(2-cyclohexylethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802002
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine (CID 54797686) is N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine is c1ccc(OCCOc2ccc(CNC3CCCCC3)cc2)cc1.
What is the InChIKey of N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine?
The InChIKey is DNLWPSMICWHRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-7-19(8-4-1)22-17-18-11-13-21(14-12-18)24-16-15-23-20-9-5-2-6-10-20/h2,5-6,9-14,19,22H,1,3-4,7-8,15-17H2.
What are the key properties of N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine?
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine has a molecular weight of 325.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 54797686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).