2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine

C17H22ClNO2 — CID 63517054

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESCc1cc(Cl)c(C(C)C)cc1OCCNCc1ccoc1
InChIInChI=1S/C17H22ClNO2/c1-12(2)15-9-17(13(3)8-16(15)18)21-7-5-19-10-14-4-6-20-11-14/h4,6,8-9,11-12,19H,5,7,10H2,1-3H3
InChIKeyWXPKFGIPIJQAHU-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.53
Rot. Bonds7

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 63517054) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
PubChem CID63517054
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESCc1cc(Cl)c(C(C)C)cc1OCCNCc1ccoc1
InChIInChI=1S/C17H22ClNO2/c1-12(2)15-9-17(13(3)8-16(15)18)21-7-5-19-10-14-4-6-20-11-14/h4,6,8-9,11-12,19H,5,7,10H2,1-3H3
InChIKeyWXPKFGIPIJQAHU-UHFFFAOYSA-N
XLogP4.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598772
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598874
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-3-methylbutan-2-amine
CID 63517874
2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62572477
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983
N-(furan-3-ylmethyl)-2-(2-methylquinolin-8-yl)oxyethanamine
CID 62584312
N-(furan-3-ylmethyl)-2-naphthalen-1-yloxyethanamine
CID 62571544
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine (CID 63517054) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine is Cc1cc(Cl)c(C(C)C)cc1OCCNCc1ccoc1.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is WXPKFGIPIJQAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12(2)15-9-17(13(3)8-16(15)18)21-7-5-19-10-14-4-6-20-11-14/h4,6,8-9,11-12,19H,5,7,10H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 307.82 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 63517054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).