N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine

C18H29BrN2 — CID 81381973

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)N[C@@H](C)c2cccc(Br)c2)C1
InChIInChI=1S/C18H29BrN2/c1-4-10-21-11-6-8-17(13-21)15(3)20-14(2)16-7-5-9-18(19)12-16/h5,7,9,12,14-15,17,20H,4,6,8,10-11,13H2,1-3H3/t14-,15?,17?/m0/s1
InChIKeyWUXYYPUIOTVEPL-UQPPLGOBSA-N
MW353.35 g/mol
LogP4.61
Rot. Bonds6

About N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine

N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine (PubChem CID 81381973) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
PubChem CID81381973
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)N[C@@H](C)c2cccc(Br)c2)C1
InChIInChI=1S/C18H29BrN2/c1-4-10-21-11-6-8-17(13-21)15(3)20-14(2)16-7-5-9-18(19)12-16/h5,7,9,12,14-15,17,20H,4,6,8,10-11,13H2,1-3H3/t14-,15?,17?/m0/s1
InChIKeyWUXYYPUIOTVEPL-UQPPLGOBSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308713
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine (CID 81381973) is N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine is CCCN1CCCC(C(C)N[C@@H](C)c2cccc(Br)c2)C1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The InChIKey is WUXYYPUIOTVEPL-UQPPLGOBSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-10-21-11-6-8-17(13-21)15(3)20-14(2)16-7-5-9-18(19)12-16/h5,7,9,12,14-15,17,20H,4,6,8,10-11,13H2,1-3H3/t14-,15?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine has a molecular weight of 353.35 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 81381973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).