N-(2-butoxyethyl)-3,5-dimethylaniline

C14H23NO — CID 61483002

IUPACN-(2-butoxyethyl)-3,5-dimethylaniline
SMILESCCCCOCCNc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-4-5-7-16-8-6-15-14-10-12(2)9-13(3)11-14/h9-11,15H,4-8H2,1-3H3
InChIKeyLFFSASGKJFPUGF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds7

About N-(2-butoxyethyl)-3,5-dimethylaniline

N-(2-butoxyethyl)-3,5-dimethylaniline (PubChem CID 61483002) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3,5-dimethylaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3,5-dimethylaniline
PubChem CID61483002
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-butoxyethyl)-3,5-dimethylaniline
SMILESCCCCOCCNc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-4-5-7-16-8-6-15-14-10-12(2)9-13(3)11-14/h9-11,15H,4-8H2,1-3H3
InChIKeyLFFSASGKJFPUGF-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
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1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
N-[2-(2-butoxyethoxy)ethyl]aniline
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N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
5-methyl-3-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 112647608
1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
CID 127566183
1-butoxybutane;propan-2-ol;1,3,5-trimethylbenzene
CID 67628315
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CID 107644359

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3,5-dimethylaniline?
The IUPAC name of N-(2-butoxyethyl)-3,5-dimethylaniline (CID 61483002) is N-(2-butoxyethyl)-3,5-dimethylaniline.
What is the SMILES notation for N-(2-butoxyethyl)-3,5-dimethylaniline?
The canonical SMILES for N-(2-butoxyethyl)-3,5-dimethylaniline is CCCCOCCNc1cc(C)cc(C)c1.
What is the InChIKey of N-(2-butoxyethyl)-3,5-dimethylaniline?
The InChIKey is LFFSASGKJFPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-7-16-8-6-15-14-10-12(2)9-13(3)11-14/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-3,5-dimethylaniline?
N-(2-butoxyethyl)-3,5-dimethylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3,5-dimethylaniline is sourced from PubChem (CID 61483002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).