[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol

C16H26N2O — CID 112626005

IUPAC[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
SMILESCCCNC(C)c1ccccc1N1CCC(CO)C1
InChIInChI=1S/C16H26N2O/c1-3-9-17-13(2)15-6-4-5-7-16(15)18-10-8-14(11-18)12-19/h4-7,13-14,17,19H,3,8-12H2,1-2H3
InChIKeyBIXNVTCPZQYAHH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds6

About [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol

[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol (PubChem CID 112626005) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
PubChem CID112626005
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
SMILESCCCNC(C)c1ccccc1N1CCC(CO)C1
InChIInChI=1S/C16H26N2O/c1-3-9-17-13(2)15-6-4-5-7-16(15)18-10-8-14(11-18)12-19/h4-7,13-14,17,19H,3,8-12H2,1-2H3
InChIKeyBIXNVTCPZQYAHH-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
[1-[3-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 115965439
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 61219586
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
N-[1-[2-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562783
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170650
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol (CID 112626005) is [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol is CCCNC(C)c1ccccc1N1CCC(CO)C1.
What is the InChIKey of [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is BIXNVTCPZQYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-17-13(2)15-6-4-5-7-16(15)18-10-8-14(11-18)12-19/h4-7,13-14,17,19H,3,8-12H2,1-2H3.
What are the key properties of [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol?
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112626005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).