4-hexyl-2-methoxyaniline

C13H21NO — CID 70551686

IUPAC4-hexyl-2-methoxyaniline
SMILESCCCCCCc1ccc(N)c(OC)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-7-11-8-9-12(14)13(10-11)15-2/h8-10H,3-7,14H2,1-2H3
InChIKeyBSZIBMRZACCKDX-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.40
Rot. Bonds6

About 4-hexyl-2-methoxyaniline

4-hexyl-2-methoxyaniline (PubChem CID 70551686) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-hexyl-2-methoxyaniline.

Molecular Properties

Compound Name4-hexyl-2-methoxyaniline
PubChem CID70551686
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-hexyl-2-methoxyaniline
SMILESCCCCCCc1ccc(N)c(OC)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-7-11-8-9-12(14)13(10-11)15-2/h8-10H,3-7,14H2,1-2H3
InChIKeyBSZIBMRZACCKDX-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 90251753
CID 90251753
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-heptyl-2-methylaniline
CID 23348805
formamide;2-methoxy-1-methyl-4-pentylbenzene
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4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
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2-chloro-4-heptylaniline
CID 21161447
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
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CID 146198864
3-(4-amino-3-methoxyphenyl)propoxy-ethyl-oxophosphanium
CID 123475670
2-amino-5-hexylbenzenethiol;zinc
CID 67602653
4-decyl-6-octylnaphthalen-1-amine
CID 139692308
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-methoxyaniline?
The IUPAC name of 4-hexyl-2-methoxyaniline (CID 70551686) is 4-hexyl-2-methoxyaniline.
What is the SMILES notation for 4-hexyl-2-methoxyaniline?
The canonical SMILES for 4-hexyl-2-methoxyaniline is CCCCCCc1ccc(N)c(OC)c1.
What is the InChIKey of 4-hexyl-2-methoxyaniline?
The InChIKey is BSZIBMRZACCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-6-7-11-8-9-12(14)13(10-11)15-2/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 4-hexyl-2-methoxyaniline?
4-hexyl-2-methoxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-methoxyaniline is sourced from PubChem (CID 70551686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).