1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine

C17H29NO3 — CID 103181855

IUPAC1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
SMILESCOCCCOCCOc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C17H29NO3/c1-13-10-16(12-15(3)18)11-14(2)17(13)21-9-8-20-7-5-6-19-4/h10-11,15H,5-9,12,18H2,1-4H3
InChIKeyBTLFLCBMBCCZLQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.63
Rot. Bonds10

About 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine

1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine (PubChem CID 103181855) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
PubChem CID103181855
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
SMILESCOCCCOCCOc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C17H29NO3/c1-13-10-16(12-15(3)18)11-14(2)17(13)21-9-8-20-7-5-6-19-4/h10-11,15H,5-9,12,18H2,1-4H3
InChIKeyBTLFLCBMBCCZLQ-UHFFFAOYSA-N
XLogP2.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]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-[5-bromo-2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]propan-2-amine
CID 103181908
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
methyl 4-[4-(2-aminopropyl)-2,6-dimethylphenoxy]butanoate
CID 60908291
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64565529
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]propan-2-amine
CID 115962897
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine?
The IUPAC name of 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine (CID 103181855) is 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine is COCCCOCCOc1c(C)cc(CC(C)N)cc1C.
What is the InChIKey of 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine?
The InChIKey is BTLFLCBMBCCZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-10-16(12-15(3)18)11-14(2)17(13)21-9-8-20-7-5-6-19-4/h10-11,15H,5-9,12,18H2,1-4H3.
What are the key properties of 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine?
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine is sourced from PubChem (CID 103181855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).