4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline

C21H28N2O2 — CID 146356134

IUPAC4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
SMILESCc1cc(OCC2CCC(COc3ccc(N)cc3)CC2)ccc1N
InChIInChI=1S/C21H28N2O2/c1-15-12-20(10-11-21(15)23)25-14-17-4-2-16(3-5-17)13-24-19-8-6-18(22)7-9-19/h6-12,16-17H,2-5,13-14,22-23H2,1H3
InChIKeyKVZBKDSOKBLPTJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.42
Rot. Bonds6

About 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline

4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline (PubChem CID 146356134) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
PubChem CID146356134
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
SMILESCc1cc(OCC2CCC(COc3ccc(N)cc3)CC2)ccc1N
InChIInChI=1S/C21H28N2O2/c1-15-12-20(10-11-21(15)23)25-14-17-4-2-16(3-5-17)13-24-19-8-6-18(22)7-9-19/h6-12,16-17H,2-5,13-14,22-23H2,1H3
InChIKeyKVZBKDSOKBLPTJ-UHFFFAOYSA-N
XLogP4.42
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
CID 174110180
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide
CID 83140603
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(methoxymethoxy)-2-methylaniline
CID 14883323
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline?
The IUPAC name of 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline (CID 146356134) is 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline.
What is the SMILES notation for 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline?
The canonical SMILES for 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline is Cc1cc(OCC2CCC(COc3ccc(N)cc3)CC2)ccc1N.
What is the InChIKey of 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline?
The InChIKey is KVZBKDSOKBLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-12-20(10-11-21(15)23)25-14-17-4-2-16(3-5-17)13-24-19-8-6-18(22)7-9-19/h6-12,16-17H,2-5,13-14,22-23H2,1H3.
What are the key properties of 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline?
4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline has a molecular weight of 340.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline is sourced from PubChem (CID 146356134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).