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

C14H21BrN2 — CID 43215869

IUPACN-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-11(13-5-3-4-6-14(13)15)16-12-7-9-17(2)10-8-12/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyURFRPNJFQZITKM-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.19
Rot. Bonds3

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

N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 43215869) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID43215869
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-11(13-5-3-4-6-14(13)15)16-12-7-9-17(2)10-8-12/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyURFRPNJFQZITKM-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43109619
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine (CID 43215869) is N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is URFRPNJFQZITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11(13-5-3-4-6-14(13)15)16-12-7-9-17(2)10-8-12/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43215869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).