3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol

C14H21ClN2O — CID 62945696

IUPAC3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCc1ccc(N2CCCC2CCCO)cc1Cl
InChIInChI=1S/C14H21ClN2O/c15-14-9-13(6-5-11(14)10-16)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10,16H2
InChIKeyNOTRACUCBYCERC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62945696) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62945696
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCc1ccc(N2CCCC2CCCO)cc1Cl
InChIInChI=1S/C14H21ClN2O/c15-14-9-13(6-5-11(14)10-16)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10,16H2
InChIKeyNOTRACUCBYCERC-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol (CID 62945696) is 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol is NCc1ccc(N2CCCC2CCCO)cc1Cl.
What is the InChIKey of 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NOTRACUCBYCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-14-9-13(6-5-11(14)10-16)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10,16H2.
What are the key properties of 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 268.79 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62945696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).