N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

C14H21BrN2 — CID 17213784

IUPACN-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-2-17-8-4-7-14(17)11-16-10-12-5-3-6-13(15)9-12/h3,5-6,9,14,16H,2,4,7-8,10-11H2,1H3
InChIKeyXVCWYWQVZDVTBI-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 17213784) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID17213784
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-2-17-8-4-7-14(17)11-16-10-12-5-3-6-13(15)9-12/h3,5-6,9,14,16H,2,4,7-8,10-11H2,1H3
InChIKeyXVCWYWQVZDVTBI-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
2-[3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43764758
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51986497
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
N-[(3-bromo-4-propoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241418
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628103
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43764793
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
CID 43183351

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 17213784) is N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is XVCWYWQVZDVTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-17-8-4-7-14(17)11-16-10-12-5-3-6-13(15)9-12/h3,5-6,9,14,16H,2,4,7-8,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 297.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 17213784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).