1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine

C14H22ClN3 — CID 81460139

IUPAC1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2ccc(Cl)cc2CN)CC1N(C)C
InChIInChI=1S/C14H22ClN3/c1-10-8-18(9-14(10)17(2)3)13-5-4-12(15)6-11(13)7-16/h4-6,10,14H,7-9,16H2,1-3H3
InChIKeyBUDPCUWASZFTRG-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81460139) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81460139
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2ccc(Cl)cc2CN)CC1N(C)C
InChIInChI=1S/C14H22ClN3/c1-10-8-18(9-14(10)17(2)3)13-5-4-12(15)6-11(13)7-16/h4-6,10,14H,7-9,16H2,1-3H3
InChIKeyBUDPCUWASZFTRG-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81460139) is 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(c2ccc(Cl)cc2CN)CC1N(C)C.
What is the InChIKey of 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is BUDPCUWASZFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10-8-18(9-14(10)17(2)3)13-5-4-12(15)6-11(13)7-16/h4-6,10,14H,7-9,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 267.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81460139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).