2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine

C18H31NO2 — CID 62597760

IUPAC2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-6-20-12-8-11-19-14-15(2)21-17-10-7-9-16(13-17)18(3,4)5/h7,9-10,13,15,19H,6,8,11-12,14H2,1-5H3
InChIKeyKYVBLGJUPXBRNH-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.77
Rot. Bonds9

About 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine

2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 62597760) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID62597760
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-6-20-12-8-11-19-14-15(2)21-17-10-7-9-16(13-17)18(3,4)5/h7,9-10,13,15,19H,6,8,11-12,14H2,1-5H3
InChIKeyKYVBLGJUPXBRNH-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-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

2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
N-(3-ethoxypropyl)-2-quinolin-7-yloxypropan-1-amine
CID 107315345
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
2-(3-tert-butylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 63498609
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine (CID 62597760) is 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is KYVBLGJUPXBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-20-12-8-11-19-14-15(2)21-17-10-7-9-16(13-17)18(3,4)5/h7,9-10,13,15,19H,6,8,11-12,14H2,1-5H3.
What are the key properties of 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 62597760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).