2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine

C11H13ClF3NO — CID 103366797

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc(OCC(CN)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H13ClF3NO/c1-7-2-3-10(9(12)4-7)17-6-8(5-16)11(13,14)15/h2-4,8H,5-6,16H2,1H3
InChIKeyUYYYTXRCYQKXPD-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.16
Rot. Bonds4

About 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine

2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366797) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366797
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc(OCC(CN)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H13ClF3NO/c1-7-2-3-10(9(12)4-7)17-6-8(5-16)11(13,14)15/h2-4,8H,5-6,16H2,1H3
InChIKeyUYYYTXRCYQKXPD-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370450
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
CID 103366783
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 121390824
1-[2-(bromomethyl)butoxy]-2-chloro-4-methylbenzene
CID 64995229
1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62671081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366797) is 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine is Cc1ccc(OCC(CN)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is UYYYTXRCYQKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7-2-3-10(9(12)4-7)17-6-8(5-16)11(13,14)15/h2-4,8H,5-6,16H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 267.68 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).