2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C14H22ClNO — CID 65023956

IUPAC2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCOCCCl)cc1
InChIInChI=1S/C14H22ClNO/c1-12(2)14-5-3-13(4-6-14)11-16-8-10-17-9-7-15/h3-6,12,16H,7-11H2,1-2H3
InChIKeyOEQSNWAKISZBJS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 65023956) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID65023956
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCOCCCl)cc1
InChIInChI=1S/C14H22ClNO/c1-12(2)14-5-3-13(4-6-14)11-16-8-10-17-9-7-15/h3-6,12,16H,7-11H2,1-2H3
InChIKeyOEQSNWAKISZBJS-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 170953319
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
CID 65304490
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
4-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306165
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 65023956) is 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNCCOCCCl)cc1.
What is the InChIKey of 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is OEQSNWAKISZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-12(2)14-5-3-13(4-6-14)11-16-8-10-17-9-7-15/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 65023956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).