1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol

C16H26N2O2 — CID 78966951

IUPAC1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
SMILESCOc1cccc(C(O)CNC(C)CN2CCCC2)c1
InChIInChI=1S/C16H26N2O2/c1-13(12-18-8-3-4-9-18)17-11-16(19)14-6-5-7-15(10-14)20-2/h5-7,10,13,16-17,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyRTFPHOMIZFVUOQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol

1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol (PubChem CID 78966951) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
PubChem CID78966951
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
SMILESCOc1cccc(C(O)CNC(C)CN2CCCC2)c1
InChIInChI=1S/C16H26N2O2/c1-13(12-18-8-3-4-9-18)17-11-16(19)14-6-5-7-15(10-14)20-2/h5-7,10,13,16-17,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyRTFPHOMIZFVUOQ-UHFFFAOYSA-N
XLogP1.80
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021
2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81134999
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol (CID 78966951) is 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol is COc1cccc(C(O)CNC(C)CN2CCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol?
The InChIKey is RTFPHOMIZFVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(12-18-8-3-4-9-18)17-11-16(19)14-6-5-7-15(10-14)20-2/h5-7,10,13,16-17,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol?
1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol is sourced from PubChem (CID 78966951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).