N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine

C15H24ClNO — CID 113276749

IUPACN-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCOc1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-5-6-10-18-14-9-7-8-13(16)12(14)11-17-15(2,3)4/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyPMSWMIQVWSLQCB-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.41
Rot. Bonds6

About N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine

N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 113276749) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID113276749
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCOc1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-5-6-10-18-14-9-7-8-13(16)12(14)11-17-15(2,3)4/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyPMSWMIQVWSLQCB-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-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

4-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]butanenitrile
CID 114319867
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
N-[[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319805
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
CID 114319831
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
CID 114319870
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine (CID 113276749) is N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine is CCCCOc1cccc(Cl)c1CNC(C)(C)C.
What is the InChIKey of N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is PMSWMIQVWSLQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-6-10-18-14-9-7-8-13(16)12(14)11-17-15(2,3)4/h7-9,17H,5-6,10-11H2,1-4H3.
What are the key properties of N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113276749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).