5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol

C16H25NO — CID 107270210

IUPAC5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
SMILESCc1ccc(C(NCCCC(C)O)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12-5-7-14(8-6-12)16(15-9-10-15)17-11-3-4-13(2)18/h5-8,13,15-18H,3-4,9-11H2,1-2H3
InChIKeyDGLIVJXYICYAQD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds7

About 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol

5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol (PubChem CID 107270210) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
PubChem CID107270210
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
SMILESCc1ccc(C(NCCCC(C)O)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12-5-7-14(8-6-12)16(15-9-10-15)17-11-3-4-13(2)18/h5-8,13,15-18H,3-4,9-11H2,1-2H3
InChIKeyDGLIVJXYICYAQD-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
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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Related Compounds

5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
5-(dicyclopropylmethylamino)pentan-2-ol
CID 107270439
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol?
The IUPAC name of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol (CID 107270210) is 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol is Cc1ccc(C(NCCCC(C)O)C2CC2)cc1.
What is the InChIKey of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol?
The InChIKey is DGLIVJXYICYAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-7-14(8-6-12)16(15-9-10-15)17-11-3-4-13(2)18/h5-8,13,15-18H,3-4,9-11H2,1-2H3.
What are the key properties of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol?
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 107270210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).