N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine

C15H24ClNO — CID 63517061

IUPACN-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C15H24ClNO/c1-5-6-17-7-8-18-15-9-12(4)14(16)10-13(15)11(2)3/h9-11,17H,5-8H2,1-4H3
InChIKeyVTJIXHMSCGQAAQ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine

N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine (PubChem CID 63517061) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
PubChem CID63517061
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C15H24ClNO/c1-5-6-17-7-8-18-15-9-12(4)14(16)10-13(15)11(2)3/h9-11,17H,5-8H2,1-4H3
InChIKeyVTJIXHMSCGQAAQ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 63516251
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
CID 142636108
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]oxan-4-amine
CID 63100218
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62583039
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
CID 82552720
1-chloro-2-methyl-5-(3-methylhex-4-yn-2-yl)-4-propoxybenzene
CID 83937789

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine (CID 63517061) is N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine is CCCNCCOc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine?
The InChIKey is VTJIXHMSCGQAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-6-17-7-8-18-15-9-12(4)14(16)10-13(15)11(2)3/h9-11,17H,5-8H2,1-4H3.
What are the key properties of N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine?
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63517061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).