N-pentyl-4-(quinolin-2-ylmethoxy)aniline

C21H24N2O — CID 19801895

IUPACN-pentyl-4-(quinolin-2-ylmethoxy)aniline
SMILESCCCCCNc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H24N2O/c1-2-3-6-15-22-18-11-13-20(14-12-18)24-16-19-10-9-17-7-4-5-8-21(17)23-19/h4-5,7-14,22H,2-3,6,15-16H2,1H3
InChIKeyWMAYLHFBXSMHBA-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.42
Rot. Bonds8

About N-pentyl-4-(quinolin-2-ylmethoxy)aniline

N-pentyl-4-(quinolin-2-ylmethoxy)aniline (PubChem CID 19801895) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-pentyl-4-(quinolin-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-pentyl-4-(quinolin-2-ylmethoxy)aniline
PubChem CID19801895
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-pentyl-4-(quinolin-2-ylmethoxy)aniline
SMILESCCCCCNc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H24N2O/c1-2-3-6-15-22-18-11-13-20(14-12-18)24-16-19-10-9-17-7-4-5-8-21(17)23-19/h4-5,7-14,22H,2-3,6,15-16H2,1H3
InChIKeyWMAYLHFBXSMHBA-UHFFFAOYSA-N
XLogP5.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
CID 10786723
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
CID 162335511
CID 162335511
2-(dodecoxymethyl)quinoline
CID 14754989
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
N-dodecylquinolin-2-amine
CID 160510159

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(quinolin-2-ylmethoxy)aniline?
The IUPAC name of N-pentyl-4-(quinolin-2-ylmethoxy)aniline (CID 19801895) is N-pentyl-4-(quinolin-2-ylmethoxy)aniline.
What is the SMILES notation for N-pentyl-4-(quinolin-2-ylmethoxy)aniline?
The canonical SMILES for N-pentyl-4-(quinolin-2-ylmethoxy)aniline is CCCCCNc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-pentyl-4-(quinolin-2-ylmethoxy)aniline?
The InChIKey is WMAYLHFBXSMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-3-6-15-22-18-11-13-20(14-12-18)24-16-19-10-9-17-7-4-5-8-21(17)23-19/h4-5,7-14,22H,2-3,6,15-16H2,1H3.
What are the key properties of N-pentyl-4-(quinolin-2-ylmethoxy)aniline?
N-pentyl-4-(quinolin-2-ylmethoxy)aniline has a molecular weight of 320.44 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(quinolin-2-ylmethoxy)aniline is sourced from PubChem (CID 19801895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).