N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine

C16H27NO2 — CID 54922154

IUPACN-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCCCCc1ccc(C(C)NCC(OC)OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-6-7-14-8-10-15(11-9-14)13(2)17-12-16(18-3)19-4/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyWVCLRXFRGWOHSW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.30
Rot. Bonds9

About N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine

N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine (PubChem CID 54922154) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
PubChem CID54922154
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCCCCc1ccc(C(C)NCC(OC)OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-6-7-14-8-10-15(11-9-14)13(2)17-12-16(18-3)19-4/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyWVCLRXFRGWOHSW-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine (CID 54922154) is N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine is CCCCc1ccc(C(C)NCC(OC)OC)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine?
The InChIKey is WVCLRXFRGWOHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-7-14-8-10-15(11-9-14)13(2)17-12-16(18-3)19-4/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine?
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 54922154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).