3-chloro-4-methoxy-N-nonan-2-ylaniline

C16H26ClNO — CID 43129722

IUPAC3-chloro-4-methoxy-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-5-6-7-8-9-13(2)18-14-10-11-16(19-3)15(17)12-14/h10-13,18H,4-9H2,1-3H3
InChIKeyUQFSUSSCCFOPBB-UHFFFAOYSA-N
MW283.84 g/mol
LogP5.51
Rot. Bonds9

About 3-chloro-4-methoxy-N-nonan-2-ylaniline

3-chloro-4-methoxy-N-nonan-2-ylaniline (PubChem CID 43129722) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-nonan-2-ylaniline.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-nonan-2-ylaniline
PubChem CID43129722
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-chloro-4-methoxy-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-5-6-7-8-9-13(2)18-14-10-11-16(19-3)15(17)12-14/h10-13,18H,4-9H2,1-3H3
InChIKeyUQFSUSSCCFOPBB-UHFFFAOYSA-N
XLogP5.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine
CID 142876097
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
CID 63431280
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
3-[2-chloro-4-(hexadecan-2-ylamino)phenyl]-3-oxopropanoic acid
CID 54376544
3,5-dichloro-N-nonan-2-ylaniline
CID 55199203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-nonan-2-ylaniline?
The IUPAC name of 3-chloro-4-methoxy-N-nonan-2-ylaniline (CID 43129722) is 3-chloro-4-methoxy-N-nonan-2-ylaniline.
What is the SMILES notation for 3-chloro-4-methoxy-N-nonan-2-ylaniline?
The canonical SMILES for 3-chloro-4-methoxy-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-4-methoxy-N-nonan-2-ylaniline?
The InChIKey is UQFSUSSCCFOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-5-6-7-8-9-13(2)18-14-10-11-16(19-3)15(17)12-14/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-nonan-2-ylaniline?
3-chloro-4-methoxy-N-nonan-2-ylaniline has a molecular weight of 283.84 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-nonan-2-ylaniline is sourced from PubChem (CID 43129722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).