N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride

C14H23Cl2NO2 — CID 2968776

IUPACN-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
SMILESCCOCCCNCc1cc(Cl)ccc1OCC.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-3-17-9-5-8-16-11-12-10-13(15)6-7-14(12)18-4-2;/h6-7,10,16H,3-5,8-9,11H2,1-2H3;1H
InChIKeyMIGKXBXRYXJUSJ-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.68
Rot. Bonds9

About N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride

N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride (PubChem CID 2968776) has the molecular formula C14H23Cl2NO2 and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
PubChem CID2968776
Molecular FormulaC14H23Cl2NO2
Molecular Weight308.25 g/mol
Exact Mass307.11
IUPAC NameN-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
SMILESCCOCCCNCc1cc(Cl)ccc1OCC.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-3-17-9-5-8-16-11-12-10-13(15)6-7-14(12)18-4-2;/h6-7,10,16H,3-5,8-9,11H2,1-2H3;1H
InChIKeyMIGKXBXRYXJUSJ-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride (CID 2968776) is N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride is CCOCCCNCc1cc(Cl)ccc1OCC.Cl.
What is the InChIKey of N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The InChIKey is MIGKXBXRYXJUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2.ClH/c1-3-17-9-5-8-16-11-12-10-13(15)6-7-14(12)18-4-2;/h6-7,10,16H,3-5,8-9,11H2,1-2H3;1H.
What are the key properties of N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 2968776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).