1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine

C16H25BrN2O — CID 106585979

IUPAC1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
SMILESCOCC1CCCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C16H25BrN2O/c1-12(18)16(14-6-3-7-15(17)9-14)19-8-4-5-13(10-19)11-20-2/h3,6-7,9,12-13,16H,4-5,8,10-11,18H2,1-2H3
InChIKeyYRGMBBWYHLPDMT-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine

1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine (PubChem CID 106585979) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
PubChem CID106585979
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
SMILESCOCC1CCCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C16H25BrN2O/c1-12(18)16(14-6-3-7-15(17)9-14)19-8-4-5-13(10-19)11-20-2/h3,6-7,9,12-13,16H,4-5,8,10-11,18H2,1-2H3
InChIKeyYRGMBBWYHLPDMT-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
CID 106585949
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
CID 79664099
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine (CID 106585979) is 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine is COCC1CCCN(C(c2cccc(Br)c2)C(C)N)C1.
What is the InChIKey of 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine?
The InChIKey is YRGMBBWYHLPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(18)16(14-6-3-7-15(17)9-14)19-8-4-5-13(10-19)11-20-2/h3,6-7,9,12-13,16H,4-5,8,10-11,18H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine?
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine has a molecular weight of 341.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 106585979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).