2-[(3-butoxypropylamino)methyl]aniline

C14H24N2O — CID 83958629

IUPAC2-[(3-butoxypropylamino)methyl]aniline
SMILESCCCCOCCCNCc1ccccc1N
InChIInChI=1S/C14H24N2O/c1-2-3-10-17-11-6-9-16-12-13-7-4-5-8-14(13)15/h4-5,7-8,16H,2-3,6,9-12,15H2,1H3
InChIKeyZJLWVXYQCJFOGX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.57
Rot. Bonds9

About 2-[(3-butoxypropylamino)methyl]aniline

2-[(3-butoxypropylamino)methyl]aniline (PubChem CID 83958629) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(3-butoxypropylamino)methyl]aniline.

Molecular Properties

Compound Name2-[(3-butoxypropylamino)methyl]aniline
PubChem CID83958629
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(3-butoxypropylamino)methyl]aniline
SMILESCCCCOCCCNCc1ccccc1N
InChIInChI=1S/C14H24N2O/c1-2-3-10-17-11-6-9-16-12-13-7-4-5-8-14(13)15/h4-5,7-8,16H,2-3,6,9-12,15H2,1H3
InChIKeyZJLWVXYQCJFOGX-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]aniline
CID 66417301
3-butoxy-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748161
methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
CID 115461715
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 106703541
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxypropylamino)methyl]aniline?
The IUPAC name of 2-[(3-butoxypropylamino)methyl]aniline (CID 83958629) is 2-[(3-butoxypropylamino)methyl]aniline.
What is the SMILES notation for 2-[(3-butoxypropylamino)methyl]aniline?
The canonical SMILES for 2-[(3-butoxypropylamino)methyl]aniline is CCCCOCCCNCc1ccccc1N.
What is the InChIKey of 2-[(3-butoxypropylamino)methyl]aniline?
The InChIKey is ZJLWVXYQCJFOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-10-17-11-6-9-16-12-13-7-4-5-8-14(13)15/h4-5,7-8,16H,2-3,6,9-12,15H2,1H3.
What are the key properties of 2-[(3-butoxypropylamino)methyl]aniline?
2-[(3-butoxypropylamino)methyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxypropylamino)methyl]aniline is sourced from PubChem (CID 83958629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).