(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol

C16H26N2O — CID 79319401

IUPAC(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
SMILESCCN1CCCC1CN(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C16H26N2O/c1-4-18-11-7-8-14(18)12-17(3)16-10-6-5-9-15(16)13(2)19/h5-6,9-10,13-14,19H,4,7-8,11-12H2,1-3H3/t13-,14?/m0/s1
InChIKeyNMFPZWZXEYZMHC-LSLKUGRBSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds5

About (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol

(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol (PubChem CID 79319401) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
PubChem CID79319401
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
SMILESCCN1CCCC1CN(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C16H26N2O/c1-4-18-11-7-8-14(18)12-17(3)16-10-6-5-9-15(16)13(2)19/h5-6,9-10,13-14,19H,4,7-8,11-12H2,1-3H3/t13-,14?/m0/s1
InChIKeyNMFPZWZXEYZMHC-LSLKUGRBSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
2-(aminomethyl)-3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79303489
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 79478979
3-chloro-2-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79310972
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
CID 79304051
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-nitroaniline
CID 104839087

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol (CID 79319401) is (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol is CCN1CCCC1CN(C)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol?
The InChIKey is NMFPZWZXEYZMHC-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18-11-7-8-14(18)12-17(3)16-10-6-5-9-15(16)13(2)19/h5-6,9-10,13-14,19H,4,7-8,11-12H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol?
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 79319401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).