1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol

C17H27NO — CID 103160083

IUPAC1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol
SMILESCN(CCc1ccccc1)CC(O)CC1CCCC1
InChIInChI=1S/C17H27NO/c1-18(12-11-15-7-3-2-4-8-15)14-17(19)13-16-9-5-6-10-16/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3
InChIKeyMEANQNWATCEUHS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.10
Rot. Bonds7

About 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol

1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol (PubChem CID 103160083) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol
PubChem CID103160083
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol
SMILESCN(CCc1ccccc1)CC(O)CC1CCCC1
InChIInChI=1S/C17H27NO/c1-18(12-11-15-7-3-2-4-8-15)14-17(19)13-16-9-5-6-10-16/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3
InChIKeyMEANQNWATCEUHS-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol (CID 103160083) is 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol is CN(CCc1ccccc1)CC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The InChIKey is MEANQNWATCEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-18(12-11-15-7-3-2-4-8-15)14-17(19)13-16-9-5-6-10-16/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3.
What are the key properties of 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol?
1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol is sourced from PubChem (CID 103160083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).