N-hexyl-3-methoxyaniline

C13H21NO — CID 15500485

IUPACN-hexyl-3-methoxyaniline
SMILESCCCCCCNc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-10-14-12-8-7-9-13(11-12)15-2/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyKDAAZJGHSSHRLU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.69
Rot. Bonds7

About N-hexyl-3-methoxyaniline

N-hexyl-3-methoxyaniline (PubChem CID 15500485) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-hexyl-3-methoxyaniline.

Molecular Properties

Compound NameN-hexyl-3-methoxyaniline
PubChem CID15500485
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-hexyl-3-methoxyaniline
SMILESCCCCCCNc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-10-14-12-8-7-9-13(11-12)15-2/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyKDAAZJGHSSHRLU-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.69
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

3-butoxy-N-octylaniline
CID 54800685
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-heptyl-3-phenoxyaniline
CID 63455448
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
3,5-dimethoxy-N-pentylaniline
CID 28575532
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methoxyaniline?
The IUPAC name of N-hexyl-3-methoxyaniline (CID 15500485) is N-hexyl-3-methoxyaniline.
What is the SMILES notation for N-hexyl-3-methoxyaniline?
The canonical SMILES for N-hexyl-3-methoxyaniline is CCCCCCNc1cccc(OC)c1.
What is the InChIKey of N-hexyl-3-methoxyaniline?
The InChIKey is KDAAZJGHSSHRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-6-10-14-12-8-7-9-13(11-12)15-2/h7-9,11,14H,3-6,10H2,1-2H3.
What are the key properties of N-hexyl-3-methoxyaniline?
N-hexyl-3-methoxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methoxyaniline is sourced from PubChem (CID 15500485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).