4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol

C16H25NO — CID 66091100

IUPAC4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
SMILESCc1ccc(C(NCC(C)CCO)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12-3-5-14(6-4-12)16(15-7-8-15)17-11-13(2)9-10-18/h3-6,13,15-18H,7-11H2,1-2H3
InChIKeyJSOZRFKEBBPCMV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds7

About 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol

4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol (PubChem CID 66091100) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
PubChem CID66091100
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
SMILESCc1ccc(C(NCC(C)CCO)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12-3-5-14(6-4-12)16(15-7-8-15)17-11-13(2)9-10-18/h3-6,13,15-18H,7-11H2,1-2H3
InChIKeyJSOZRFKEBBPCMV-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
4-(1-cyclopropylethylamino)-3-methylbutan-1-ol
CID 66089907
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860420
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
CID 103910921
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol
CID 103910907
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 81343196
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol (CID 66091100) is 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol is Cc1ccc(C(NCC(C)CCO)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol?
The InChIKey is JSOZRFKEBBPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-3-5-14(6-4-12)16(15-7-8-15)17-11-13(2)9-10-18/h3-6,13,15-18H,7-11H2,1-2H3.
What are the key properties of 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol?
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66091100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).