3-chloro-4-nonoxyaniline

C15H24ClNO — CID 43129005

IUPAC3-chloro-4-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(N)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(17)12-14(15)16/h9-10,12H,2-8,11,17H2,1H3
InChIKeyFRXVMXAHCYDWGR-UHFFFAOYSA-N
MW269.82 g/mol
LogP5.05
Rot. Bonds9

About 3-chloro-4-nonoxyaniline

3-chloro-4-nonoxyaniline (PubChem CID 43129005) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-chloro-4-nonoxyaniline.

Molecular Properties

Compound Name3-chloro-4-nonoxyaniline
PubChem CID43129005
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-chloro-4-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(N)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(17)12-14(15)16/h9-10,12H,2-8,11,17H2,1H3
InChIKeyFRXVMXAHCYDWGR-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.82
LogP ≤ 55.05
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

3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
4-dodecoxy-3-fluoroaniline
CID 63404209
3-iodo-4-octoxyaniline
CID 66093383
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
3-hexadecoxy-4-methylaniline
CID 57081496
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
3-chloro-4-dodecoxybenzamide
CID 172740881
1,2,4-trichloro-5-undecoxybenzene
CID 518118
5-chloro-2-decoxyaniline
CID 55187694
3-hexoxy-4-iodoaniline
CID 139793985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nonoxyaniline?
The IUPAC name of 3-chloro-4-nonoxyaniline (CID 43129005) is 3-chloro-4-nonoxyaniline.
What is the SMILES notation for 3-chloro-4-nonoxyaniline?
The canonical SMILES for 3-chloro-4-nonoxyaniline is CCCCCCCCCOc1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-nonoxyaniline?
The InChIKey is FRXVMXAHCYDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(17)12-14(15)16/h9-10,12H,2-8,11,17H2,1H3.
What are the key properties of 3-chloro-4-nonoxyaniline?
3-chloro-4-nonoxyaniline has a molecular weight of 269.82 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-nonoxyaniline is sourced from PubChem (CID 43129005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).