(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol

C15H23NO — CID 55247704

IUPAC(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)CC1CCCC1
InChIInChI=1S/C15H23NO/c1-12(17)14-9-5-6-10-15(14)16(2)11-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyVDFMQRGZOPTFQL-LBPRGKRZSA-N
MW233.36 g/mol
LogP3.37
Rot. Bonds4

About (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol

(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol (PubChem CID 55247704) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
PubChem CID55247704
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)CC1CCCC1
InChIInChI=1S/C15H23NO/c1-12(17)14-9-5-6-10-15(14)16(2)11-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyVDFMQRGZOPTFQL-LBPRGKRZSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol (CID 55247704) is (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol is C[C@H](O)c1ccccc1N(C)CC1CCCC1.
What is the InChIKey of (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol?
The InChIKey is VDFMQRGZOPTFQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17)14-9-5-6-10-15(14)16(2)11-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol?
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 55247704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).