5-(4-methylanilino)pentan-1-ol

C12H19NO — CID 10511987

IUPAC5-(4-methylanilino)pentan-1-ol
SMILESCc1ccc(NCCCCCO)cc1
InChIInChI=1S/C12H19NO/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-14/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyMYUKBTISLZSEEX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds6

About 5-(4-methylanilino)pentan-1-ol

5-(4-methylanilino)pentan-1-ol (PubChem CID 10511987) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(4-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-methylanilino)pentan-1-ol
PubChem CID10511987
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-(4-methylanilino)pentan-1-ol
SMILESCc1ccc(NCCCCCO)cc1
InChIInChI=1S/C12H19NO/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-14/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyMYUKBTISLZSEEX-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)pentan-1-ol?
The IUPAC name of 5-(4-methylanilino)pentan-1-ol (CID 10511987) is 5-(4-methylanilino)pentan-1-ol.
What is the SMILES notation for 5-(4-methylanilino)pentan-1-ol?
The canonical SMILES for 5-(4-methylanilino)pentan-1-ol is Cc1ccc(NCCCCCO)cc1.
What is the InChIKey of 5-(4-methylanilino)pentan-1-ol?
The InChIKey is MYUKBTISLZSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-14/h5-8,13-14H,2-4,9-10H2,1H3.
What are the key properties of 5-(4-methylanilino)pentan-1-ol?
5-(4-methylanilino)pentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)pentan-1-ol is sourced from PubChem (CID 10511987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).