[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol

C14H22N2O2 — CID 112624382

IUPAC[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1C(CN)N1CCC(CO)C1
InChIInChI=1S/C14H22N2O2/c1-18-14-5-3-2-4-12(14)13(8-15)16-7-6-11(9-16)10-17/h2-5,11,13,17H,6-10,15H2,1H3
InChIKeyDMPXJXQZZJFYHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.01
Rot. Bonds5

About [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol

[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 112624382) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID112624382
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1C(CN)N1CCC(CO)C1
InChIInChI=1S/C14H22N2O2/c1-18-14-5-3-2-4-12(14)13(8-15)16-7-6-11(9-16)10-17/h2-5,11,13,17H,6-10,15H2,1H3
InChIKeyDMPXJXQZZJFYHF-UHFFFAOYSA-N
XLogP1.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-2-yl]methanol
CID 55021694
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
CID 55022489
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
[1-[2-amino-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 112624466
2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 104816358
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460436

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol (CID 112624382) is [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol is COc1ccccc1C(CN)N1CCC(CO)C1.
What is the InChIKey of [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is DMPXJXQZZJFYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14-5-3-2-4-12(14)13(8-15)16-7-6-11(9-16)10-17/h2-5,11,13,17H,6-10,15H2,1H3.
What are the key properties of [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).