N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine

C15H20ClNO — CID 63056712

IUPACN-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC#CCOc1ccc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C15H20ClNO/c1-5-6-9-18-14-8-7-13(16)10-12(14)11-17-15(2,3)4/h7-8,10,17H,9,11H2,1-4H3
InChIKeyUXOZKKKBXPCXRQ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine

N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63056712) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID63056712
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC#CCOc1ccc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C15H20ClNO/c1-5-6-9-18-14-8-7-13(16)10-12(14)11-17-15(2,3)4/h7-8,10,17H,9,11H2,1-4H3
InChIKeyUXOZKKKBXPCXRQ-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]propan-2-amine
CID 62310320
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[[5-chloro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63487208
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881
1-but-2-ynoxy-4-chloro-2-methoxybenzene
CID 131198166
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 2941503
2-but-2-ynoxy-5-chlorobenzaldehyde
CID 62310355

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine (CID 63056712) is N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine is CC#CCOc1ccc(Cl)cc1CNC(C)(C)C.
What is the InChIKey of N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is UXOZKKKBXPCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-5-6-9-18-14-8-7-13(16)10-12(14)11-17-15(2,3)4/h7-8,10,17H,9,11H2,1-4H3.
What are the key properties of N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 265.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).