N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline

C17H21ClN2S — CID 134927135

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccc(CN(CCN2CCCC2)c2ccccc2)s1
InChIInChI=1S/C17H21ClN2S/c18-17-9-8-16(21-17)14-20(15-6-2-1-3-7-15)13-12-19-10-4-5-11-19/h1-3,6-9H,4-5,10-14H2
InChIKeyOQZKEYKAPSOJQG-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.50
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline

N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 134927135) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID134927135
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccc(CN(CCN2CCCC2)c2ccccc2)s1
InChIInChI=1S/C17H21ClN2S/c18-17-9-8-16(21-17)14-20(15-6-2-1-3-7-15)13-12-19-10-4-5-11-19/h1-3,6-9H,4-5,10-14H2
InChIKeyOQZKEYKAPSOJQG-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
CID 134927553
N-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 91503800
N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
CID 67789872
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
1-phenyl-1-(2-piperidin-1-ylethyl)hydrazine
CID 3028753
N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 144976987
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 78823684
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 23882701

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline (CID 134927135) is N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline is Clc1ccc(CN(CCN2CCCC2)c2ccccc2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is OQZKEYKAPSOJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c18-17-9-8-16(21-17)14-20(15-6-2-1-3-7-15)13-12-19-10-4-5-11-19/h1-3,6-9H,4-5,10-14H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline?
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 320.89 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 134927135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).