2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine

C16H25BrN2 — CID 63782755

IUPAC2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2cc(Br)ccc2CCN)CC1
InChIInChI=1S/C16H25BrN2/c1-2-3-13-7-10-19(11-8-13)16-12-15(17)5-4-14(16)6-9-18/h4-5,12-13H,2-3,6-11,18H2,1H3
InChIKeyXCORWTDFMABKQQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds5

About 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine

2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 63782755) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
PubChem CID63782755
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2cc(Br)ccc2CCN)CC1
InChIInChI=1S/C16H25BrN2/c1-2-3-13-7-10-19(11-8-13)16-12-15(17)5-4-14(16)6-9-18/h4-5,12-13H,2-3,6-11,18H2,1H3
InChIKeyXCORWTDFMABKQQ-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 63782212
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
2-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanamine
CID 63784455
1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82968790
2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63783108
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63783031

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine (CID 63782755) is 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine is CCCC1CCN(c2cc(Br)ccc2CCN)CC1.
What is the InChIKey of 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is XCORWTDFMABKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-2-3-13-7-10-19(11-8-13)16-12-15(17)5-4-14(16)6-9-18/h4-5,12-13H,2-3,6-11,18H2,1H3.
What are the key properties of 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine?
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63782755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).