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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Related Compounds

1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062270
1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
CID 63866230
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
CID 63866567
1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596237
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
CID 63878750
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55125992
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
2-N,3-N-dimethyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
CID 63880301

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).