(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine

C15H19BrN2 — CID 81359776

IUPAC(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
SMILESCCn1cccc1CN[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2/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-/m0/s1
InChIKeyAWEHSQZCUSDWAJ-LBPRGKRZSA-N
MW307.24 g/mol
LogP4.12
Rot. Bonds5

About (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine

(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine (PubChem CID 81359776) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
PubChem CID81359776
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
SMILESCCn1cccc1CN[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2/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-/m0/s1
InChIKeyAWEHSQZCUSDWAJ-LBPRGKRZSA-N
XLogP4.12
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81351998
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
CID 66411722
(1S)-1-(4-bromophenyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 81358937
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
(1R)-1-(4-bromophenyl)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 81359149
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine (CID 81359776) is (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine is CCn1cccc1CN[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is AWEHSQZCUSDWAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19BrN2/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-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 307.24 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81359776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).