1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol

C17H27NO — CID 63864319

IUPAC1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol
SMILESCCc1ccc(C(O)C(C)N(C)CC2CC2C)cc1
InChIInChI=1S/C17H27NO/c1-5-14-6-8-15(9-7-14)17(19)13(3)18(4)11-16-10-12(16)2/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3
InChIKeyLMPRIUPNMZZHJA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.26
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol

1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol (PubChem CID 63864319) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol
PubChem CID63864319
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol
SMILESCCc1ccc(C(O)C(C)N(C)CC2CC2C)cc1
InChIInChI=1S/C17H27NO/c1-5-14-6-8-15(9-7-14)17(19)13(3)18(4)11-16-10-12(16)2/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3
InChIKeyLMPRIUPNMZZHJA-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol (CID 63864319) is 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol is CCc1ccc(C(O)C(C)N(C)CC2CC2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol?
The InChIKey is LMPRIUPNMZZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-14-6-8-15(9-7-14)17(19)13(3)18(4)11-16-10-12(16)2/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol?
1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 63864319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).