1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine

C16H27NO3 — CID 61483230

IUPAC1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCCOC(C)C
InChIInChI=1S/C16H27NO3/c1-5-18-16-11-14(10-13(4)17)6-7-15(16)20-9-8-19-12(2)3/h6-7,11-13H,5,8-10,17H2,1-4H3
InChIKeyMNNUHFLAFAEZRX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.78
Rot. Bonds9

About 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine

1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine (PubChem CID 61483230) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
PubChem CID61483230
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCCOC(C)C
InChIInChI=1S/C16H27NO3/c1-5-18-16-11-14(10-13(4)17)6-7-15(16)20-9-8-19-12(2)3/h6-7,11-13H,5,8-10,17H2,1-4H3
InChIKeyMNNUHFLAFAEZRX-UHFFFAOYSA-N
XLogP2.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 19590756
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine (CID 61483230) is 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine is CCOc1cc(CC(C)N)ccc1OCCOC(C)C.
What is the InChIKey of 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
The InChIKey is MNNUHFLAFAEZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-18-16-11-14(10-13(4)17)6-7-15(16)20-9-8-19-12(2)3/h6-7,11-13H,5,8-10,17H2,1-4H3.
What are the key properties of 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 61483230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).