4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride

C14H22BrClN2O — CID 120961922

IUPAC4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(CNCC1CNCC1O)c1cccc(Br)c1.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-10(11-3-2-4-13(15)5-11)6-16-7-12-8-17-9-14(12)18;/h2-5,10,12,14,16-18H,6-9H2,1H3;1H
InChIKeyOZGPWFNLTROCKI-UHFFFAOYSA-N
MW349.70 g/mol
LogP2.14
Rot. Bonds5

About 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120961922) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120961922
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(CNCC1CNCC1O)c1cccc(Br)c1.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-10(11-3-2-4-13(15)5-11)6-16-7-12-8-17-9-14(12)18;/h2-5,10,12,14,16-18H,6-9H2,1H3;1H
InChIKeyOZGPWFNLTROCKI-UHFFFAOYSA-N
XLogP2.14
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol
CID 120962585
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
4-[[(4-bromo-2-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962614
4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962296
2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
CID 115876821
3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120946950
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
CID 122038180
4-[[(2-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962257
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
2-(3-bromophenyl)propane-1-thiol
CID 115038075

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120961922) is 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride is CC(CNCC1CNCC1O)c1cccc(Br)c1.Cl.
What is the InChIKey of 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is OZGPWFNLTROCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c1-10(11-3-2-4-13(15)5-11)6-16-7-12-8-17-9-14(12)18;/h2-5,10,12,14,16-18H,6-9H2,1H3;1H.
What are the key properties of 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120961922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).