3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine

C12H18ClNO2 — CID 60683339

IUPAC3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-15-10-8-14-7-2-9-16-12-5-3-11(13)4-6-12/h3-6,14H,2,7-10H2,1H3
InChIKeyDDEQLBJYKCEESG-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.34
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine

3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 60683339) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID60683339
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-15-10-8-14-7-2-9-16-12-5-3-11(13)4-6-12/h3-6,14H,2,7-10H2,1H3
InChIKeyDDEQLBJYKCEESG-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.34
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

N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
5-(4-chlorophenoxy)-N-propylpentan-1-amine
CID 62454599
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 113405421
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
CID 82097635
N-[4-(4-chlorophenoxy)butyl]-3-methylbutan-1-amine
CID 82104298
3-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2581979

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 60683339) is 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is DDEQLBJYKCEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-15-10-8-14-7-2-9-16-12-5-3-11(13)4-6-12/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine?
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 243.73 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 60683339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).