2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine

C17H29NO2 — CID 115655578

IUPAC2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine
SMILESCCCCCOc1ccc(CNCC(C)OCC)cc1
InChIInChI=1S/C17H29NO2/c1-4-6-7-12-20-17-10-8-16(9-11-17)14-18-13-15(3)19-5-2/h8-11,15,18H,4-7,12-14H2,1-3H3
InChIKeyQHGUPWGMOOIQKV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.77
Rot. Bonds11

About 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine

2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine (PubChem CID 115655578) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine
PubChem CID115655578
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine
SMILESCCCCCOc1ccc(CNCC(C)OCC)cc1
InChIInChI=1S/C17H29NO2/c1-4-6-7-12-20-17-10-8-16(9-11-17)14-18-13-15(3)19-5-2/h8-11,15,18H,4-7,12-14H2,1-3H3
InChIKeyQHGUPWGMOOIQKV-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.77
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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Related Compounds

2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
2-methyl-3-methylsulfanyl-N-[(4-pentoxyphenyl)methyl]propan-1-amine
CID 63981906
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
CID 106171142
N-[(4-pentoxyphenyl)methyl]prop-2-yn-1-amine
CID 29049488
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine (CID 115655578) is 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine is CCCCCOc1ccc(CNCC(C)OCC)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine?
The InChIKey is QHGUPWGMOOIQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-7-12-20-17-10-8-16(9-11-17)14-18-13-15(3)19-5-2/h8-11,15,18H,4-7,12-14H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine?
2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115655578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).