N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline

C18H29NO — CID 154621342

IUPACN-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
SMILESCCCCN(CC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO/c1-3-4-14-19(15-16-8-6-5-7-9-16)17-10-12-18(20-2)13-11-17/h10-13,16H,3-9,14-15H2,1-2H3
InChIKeyOKNUNAYPHWQLSR-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.88
Rot. Bonds7

About N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline

N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline (PubChem CID 154621342) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
PubChem CID154621342
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
SMILESCCCCN(CC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO/c1-3-4-14-19(15-16-8-6-5-7-9-16)17-10-12-18(20-2)13-11-17/h10-13,16H,3-9,14-15H2,1-2H3
InChIKeyOKNUNAYPHWQLSR-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline?
The IUPAC name of N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline (CID 154621342) is N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline.
What is the SMILES notation for N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline?
The canonical SMILES for N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline is CCCCN(CC1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline?
The InChIKey is OKNUNAYPHWQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-14-19(15-16-8-6-5-7-9-16)17-10-12-18(20-2)13-11-17/h10-13,16H,3-9,14-15H2,1-2H3.
What are the key properties of N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline?
N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline has a molecular weight of 275.44 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline is sourced from PubChem (CID 154621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).