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

C17H27NO — CID 61246859

IUPAC2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
SMILESCc1ccc(C(NC(CO)CC(C)C)C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-12(2)10-16(11-19)18-17(15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-19H,8-11H2,1-3H3
InChIKeyWZVCIKPHCKTIFP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.44
Rot. Bonds7

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

2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol (PubChem CID 61246859) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
PubChem CID61246859
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
SMILESCc1ccc(C(NC(CO)CC(C)C)C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-12(2)10-16(11-19)18-17(15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-19H,8-11H2,1-3H3
InChIKeyWZVCIKPHCKTIFP-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
CID 103910921
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 64604426
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol (CID 61246859) is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol is Cc1ccc(C(NC(CO)CC(C)C)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol?
The InChIKey is WZVCIKPHCKTIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)10-16(11-19)18-17(15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-19H,8-11H2,1-3H3.
What are the key properties of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol?
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).