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

C16H25BrN2 — CID 43764793

IUPAC1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCCN1CC)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-3-16(13-7-5-8-14(17)11-13)18-12-15-9-6-10-19(15)4-2/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyQTUQQINQVRYNQY-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds6

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

1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine (PubChem CID 43764793) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
PubChem CID43764793
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCCN1CC)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-3-16(13-7-5-8-14(17)11-13)18-12-15-9-6-10-19(15)4-2/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyQTUQQINQVRYNQY-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
1-(3-bromophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585210
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764811
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100978
N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297572
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine (CID 43764793) is 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine is CCC(NCC1CCCN1CC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
The InChIKey is QTUQQINQVRYNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-16(13-7-5-8-14(17)11-13)18-12-15-9-6-10-19(15)4-2/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43764793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).