5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol

C17H27NO — CID 103911492

IUPAC5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
SMILESCc1ccc(C(NCCCC(C)CO)C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-13-5-7-15(8-6-13)17(16-9-10-16)18-11-3-4-14(2)12-19/h5-8,14,16-19H,3-4,9-12H2,1-2H3
InChIKeyNSSGWXOIEDFWBR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.44
Rot. Bonds8

About 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol

5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol (PubChem CID 103911492) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
PubChem CID103911492
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
SMILESCc1ccc(C(NCCCC(C)CO)C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-13-5-7-15(8-6-13)17(16-9-10-16)18-11-3-4-14(2)12-19/h5-8,14,16-19H,3-4,9-12H2,1-2H3
InChIKeyNSSGWXOIEDFWBR-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.44
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-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
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
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860420

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol (CID 103911492) is 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol is Cc1ccc(C(NCCCC(C)CO)C2CC2)cc1.
What is the InChIKey of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol?
The InChIKey is NSSGWXOIEDFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-5-7-15(8-6-13)17(16-9-10-16)18-11-3-4-14(2)12-19/h5-8,14,16-19H,3-4,9-12H2,1-2H3.
What are the key properties of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol?
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.44, 8 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]-2-methylpentan-1-ol is sourced from PubChem (CID 103911492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).