1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine

C14H22ClNO2 — CID 65180611

IUPAC1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
SMILESCCOCCCOc1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-17-7-4-8-18-14-6-5-12(9-11(2)16)10-13(14)15/h5-6,10-11H,3-4,7-9,16H2,1-2H3
InChIKeyLBRRYCVOTLPWLB-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.04
Rot. Bonds8

About 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine

1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine (PubChem CID 65180611) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
PubChem CID65180611
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
SMILESCCOCCCOc1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-17-7-4-8-18-14-6-5-12(9-11(2)16)10-13(14)15/h5-6,10-11H,3-4,7-9,16H2,1-2H3
InChIKeyLBRRYCVOTLPWLB-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 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'}

Analyze 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64564905
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide
CID 63890599
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine (CID 65180611) is 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine is CCOCCCOc1ccc(CC(C)N)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
The InChIKey is LBRRYCVOTLPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-17-7-4-8-18-14-6-5-12(9-11(2)16)10-13(14)15/h5-6,10-11H,3-4,7-9,16H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-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 1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 65180611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).