2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C18H30N2O — CID 106606795

IUPAC2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(C)CC(c1ccccc1)N(CCO)CC1CCCN1
InChIInChI=1S/C18H30N2O/c1-15(2)13-18(16-7-4-3-5-8-16)20(11-12-21)14-17-9-6-10-19-17/h3-5,7-8,15,17-19,21H,6,9-14H2,1-2H3
InChIKeyUCFTZTIIIPFISU-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.82
Rot. Bonds8

About 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606795) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606795
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(C)CC(c1ccccc1)N(CCO)CC1CCCN1
InChIInChI=1S/C18H30N2O/c1-15(2)13-18(16-7-4-3-5-8-16)20(11-12-21)14-17-9-6-10-19-17/h3-5,7-8,15,17-19,21H,6,9-14H2,1-2H3
InChIKeyUCFTZTIIIPFISU-UHFFFAOYSA-N
XLogP2.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606385
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
CID 106618033
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
cumene;pyrrolidin-2-ylmethanol
CID 142237933
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606795) is 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol is CC(C)CC(c1ccccc1)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is UCFTZTIIIPFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)13-18(16-7-4-3-5-8-16)20(11-12-21)14-17-9-6-10-19-17/h3-5,7-8,15,17-19,21H,6,9-14H2,1-2H3.
What are the key properties of 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).