1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine

C16H25BrN2 — CID 61240469

IUPAC1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
SMILESCC1CCN(CCNC(C)c2ccccc2Br)CC1
InChIInChI=1S/C16H25BrN2/c1-13-7-10-19(11-8-13)12-9-18-14(2)15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyJBLVLGBCFYOBEJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine

1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine (PubChem CID 61240469) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
PubChem CID61240469
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
SMILESCC1CCN(CCNC(C)c2ccccc2Br)CC1
InChIInChI=1S/C16H25BrN2/c1-13-7-10-19(11-8-13)12-9-18-14(2)15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyJBLVLGBCFYOBEJ-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 82963871
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61375423
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine (CID 61240469) is 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine is CC1CCN(CCNC(C)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The InChIKey is JBLVLGBCFYOBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-7-10-19(11-8-13)12-9-18-14(2)15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 61240469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).