N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine

C20H25BrN2O — CID 4568305

IUPACN-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine
SMILESCCOc1ccccc1CN1CCC(Nc2ccccc2Br)CC1
InChIInChI=1S/C20H25BrN2O/c1-2-24-20-10-6-3-7-16(20)15-23-13-11-17(12-14-23)22-19-9-5-4-8-18(19)21/h3-10,17,22H,2,11-15H2,1H3
InChIKeyFSEYJVMFWACSIA-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.92
Rot. Bonds6

About N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine

N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 4568305) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine
PubChem CID4568305
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC NameN-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine
SMILESCCOc1ccccc1CN1CCC(Nc2ccccc2Br)CC1
InChIInChI=1S/C20H25BrN2O/c1-2-24-20-10-6-3-7-16(20)15-23-13-11-17(12-14-23)22-19-9-5-4-8-18(19)21/h3-10,17,22H,2,11-15H2,1H3
InChIKeyFSEYJVMFWACSIA-UHFFFAOYSA-N
XLogP4.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
2-[4-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]amino]-3-methoxyphenyl]ethanol
CID 100706701
N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
CID 5244470
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine (CID 4568305) is N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine is CCOc1ccccc1CN1CCC(Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is FSEYJVMFWACSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-2-24-20-10-6-3-7-16(20)15-23-13-11-17(12-14-23)22-19-9-5-4-8-18(19)21/h3-10,17,22H,2,11-15H2,1H3.
What are the key properties of N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine?
N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 389.34 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 4568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).