N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine

C16H26ClNO2 — CID 103228528

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO2/c1-11(2)8-18-9-15(10-19-5)20-14-6-12(3)16(17)13(4)7-14/h6-7,11,15,18H,8-10H2,1-5H3
InChIKeyMPRIVYUCWPSOHZ-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.60
Rot. Bonds8

About N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103228528) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103228528
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO2/c1-11(2)8-18-9-15(10-19-5)20-14-6-12(3)16(17)13(4)7-14/h6-7,11,15,18H,8-10H2,1-5H3
InChIKeyMPRIVYUCWPSOHZ-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
1-(4-Chloro-3,5-dimethylphenoxy)-3-(1-pyrrolidinyl)-2-propanol hydrochloride
CID 2874868
1-Amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 3387132
[2-(4-Chloro-phenoxy)-ethyl]-(3-p-tolyloxy-propyl)-amine
CID 10758004
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 654862
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2246186
2-{[5-(4-Chloro-3-methylphenoxy)pentyl]amino}ethanol
CID 2250588
Cambridge id 5735273
CID 2262399
2-[{2-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]ethyl}(methyl)amino]ethanol
CID 2280418
{2-[2-(4-Chloro-3-methylphenoxy)ethoxy]ethyl}(2-methoxyethyl)amine oxalate
CID 2869738
1-(4-Chloro-3,5-dimethylphenoxy)-3-(4-morpholinyl)-2-propanol hydrochloride
CID 2873712
2-(4-chloro-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2970072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103228528) is N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is MPRIVYUCWPSOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-11(2)8-18-9-15(10-19-5)20-14-6-12(3)16(17)13(4)7-14/h6-7,11,15,18H,8-10H2,1-5H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103228528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).