2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine

C14H22ClNO2 — CID 62571399

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H22ClNO2/c1-11-9-13(15)5-6-14(11)18-12(2)10-16-7-4-8-17-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyFHBQUUXNCLKKDC-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.04
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine

2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine (PubChem CID 62571399) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
PubChem CID62571399
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H22ClNO2/c1-11-9-13(15)5-6-14(11)18-12(2)10-16-7-4-8-17-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyFHBQUUXNCLKKDC-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.04
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-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
N-[2-(4-chloro-2-methylphenoxy)propyl]-3-methylbutan-1-amine
CID 63506904
2-(4-chloro-2-methylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62571552
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62583039
N-(2-methoxyethyl)-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 55092907
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 62570990
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
3-(4-chloro-2-methylphenoxy)propyl-(3-methoxypropyl)azanium
CID 7460478

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine (CID 62571399) is 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)Oc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is FHBQUUXNCLKKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11-9-13(15)5-6-14(11)18-12(2)10-16-7-4-8-17-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 62571399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).