N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

C17H26ClNO2 — CID 62449780

IUPACN-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(OCC2CCC(CNCC(C)C)O2)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-12(2)9-19-10-15-4-5-16(21-15)11-20-14-6-7-17(18)13(3)8-14/h6-8,12,15-16,19H,4-5,9-11H2,1-3H3
InChIKeyZNVINZWZWSDXLK-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.82
Rot. Bonds7

About N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62449780) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62449780
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC NameN-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(OCC2CCC(CNCC(C)C)O2)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-12(2)9-19-10-15-4-5-16(21-15)11-20-14-6-7-17(18)13(3)8-14/h6-8,12,15-16,19H,4-5,9-11H2,1-3H3
InChIKeyZNVINZWZWSDXLK-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine 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

N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62454415
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
5-[(4-chloro-3-methylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62298691
N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 63878672
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-[5-[(4-bromo-3-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83134356
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 66321864
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62486552

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 62449780) is N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is Cc1cc(OCC2CCC(CNCC(C)C)O2)ccc1Cl.
What is the InChIKey of N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZNVINZWZWSDXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-12(2)9-19-10-15-4-5-16(21-15)11-20-14-6-7-17(18)13(3)8-14/h6-8,12,15-16,19H,4-5,9-11H2,1-3H3.
What are the key properties of N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62449780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).