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

C15H24BrN3 — CID 55004493

IUPACN-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2ccc(N)cc2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-3-19-8-6-14(7-9-19)18(2)11-12-4-5-13(17)10-15(12)16/h4-5,10,14H,3,6-9,11,17H2,1-2H3
InChIKeyDRNBRHAGMMNXHZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.95
Rot. Bonds4

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

N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 55004493) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID55004493
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2ccc(N)cc2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-3-19-8-6-14(7-9-19)18(2)11-12-4-5-13(17)10-15(12)16/h4-5,10,14H,3,6-9,11,17H2,1-2H3
InChIKeyDRNBRHAGMMNXHZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-amino-2-bromophenyl)methyl]-N-methyloxan-4-amine
CID 60790714
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004344
3-bromo-4-(diethylaminomethyl)aniline
CID 60795845
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 113240627
2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine
CID 89199659
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
3-bromo-4-[[methyl(2-methylbutan-2-yl)amino]methyl]aniline
CID 63983056

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 55004493) is N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)Cc2ccc(N)cc2Br)CC1.
What is the InChIKey of N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is DRNBRHAGMMNXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-19-8-6-14(7-9-19)18(2)11-12-4-5-13(17)10-15(12)16/h4-5,10,14H,3,6-9,11,17H2,1-2H3.
What are the key properties of N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 55004493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).