(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine

C15H19ClN2 — CID 81351998

IUPAC(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
SMILESCCn1cccc1CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2/c1-3-18-10-4-5-15(18)11-17-12(2)13-6-8-14(16)9-7-13/h4-10,12,17H,3,11H2,1-2H3/t12-/m1/s1
InChIKeyLLPKRJWFTHPWRM-GFCCVEGCSA-N
MW262.78 g/mol
LogP4.01
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine (PubChem CID 81351998) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
PubChem CID81351998
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
SMILESCCn1cccc1CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2/c1-3-18-10-4-5-15(18)11-17-12(2)13-6-8-14(16)9-7-13/h4-10,12,17H,3,11H2,1-2H3/t12-/m1/s1
InChIKeyLLPKRJWFTHPWRM-GFCCVEGCSA-N
XLogP4.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
CID 66411722
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81359776
1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398470
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 64799716
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(1S)-1-(4-chlorophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81354039
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81372404

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine (CID 81351998) is (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine is CCn1cccc1CN[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is LLPKRJWFTHPWRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-3-18-10-4-5-15(18)11-17-12(2)13-6-8-14(16)9-7-13/h4-10,12,17H,3,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 262.78 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81351998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).