1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol

C14H20BrNO — CID 62619690

IUPAC1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CCN(CCC(O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNO/c1-11-6-8-16(10-11)9-7-14(17)12-2-4-13(15)5-3-12/h2-5,11,14,17H,6-10H2,1H3
InChIKeyBTYYPWNDIWYQEH-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol

1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol (PubChem CID 62619690) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
PubChem CID62619690
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CCN(CCC(O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNO/c1-11-6-8-16(10-11)9-7-14(17)12-2-4-13(15)5-3-12/h2-5,11,14,17H,6-10H2,1H3
InChIKeyBTYYPWNDIWYQEH-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol (CID 62619690) is 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol is CC1CCN(CCC(O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is BTYYPWNDIWYQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-6-8-16(10-11)9-7-14(17)12-2-4-13(15)5-3-12/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol?
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 62619690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).