N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine

C15H24ClNO2 — CID 103228482

IUPACN-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-11-6-7-13(16)14(8-11)19-12(10-18-5)9-17-15(2,3)4/h6-8,12,17H,9-10H2,1-5H3
InChIKeyCYJZBFQPYCHJCZ-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine

N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine (PubChem CID 103228482) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
PubChem CID103228482
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-11-6-7-13(16)14(8-11)19-12(10-18-5)9-17-15(2,3)4/h6-8,12,17H,9-10H2,1-5H3
InChIKeyCYJZBFQPYCHJCZ-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228403
N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 114264334
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228645
N-[2-[(2-chlorophenyl)methoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227796
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine (CID 103228482) is N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)Oc1cc(C)ccc1Cl.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The InChIKey is CYJZBFQPYCHJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-11-6-7-13(16)14(8-11)19-12(10-18-5)9-17-15(2,3)4/h6-8,12,17H,9-10H2,1-5H3.
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103228482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).