2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline

C16H27BrN2 — CID 63532676

IUPAC2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1ccc(C(C)NCC)cc1Br
InChIInChI=1S/C16H27BrN2/c1-5-7-8-11-19(4)16-10-9-14(12-15(16)17)13(3)18-6-2/h9-10,12-13,18H,5-8,11H2,1-4H3
InChIKeyMLHNCMWIICHXDO-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.75
Rot. Bonds8

About 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline

2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline (PubChem CID 63532676) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline.

Molecular Properties

Compound Name2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
PubChem CID63532676
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1ccc(C(C)NCC)cc1Br
InChIInChI=1S/C16H27BrN2/c1-5-7-8-11-19(4)16-10-9-14(12-15(16)17)13(3)18-6-2/h9-10,12-13,18H,5-8,11H2,1-4H3
InChIKeyMLHNCMWIICHXDO-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
5-[2-bromo-N-methyl-4-[1-(propylamino)ethyl]anilino]pentan-1-ol
CID 107200490
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 62912192
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62909357
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 63532999
2-bromo-N-(2-ethoxyethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63697741
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62912215
2-bromo-N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 114062678
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
2-bromo-N-butan-2-yl-4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)aniline
CID 62912370
2-bromo-N-ethyl-4-[1-(methylamino)ethyl]-N-propylaniline
CID 55133038
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline?
The IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline (CID 63532676) is 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline.
What is the SMILES notation for 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline?
The canonical SMILES for 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline is CCCCCN(C)c1ccc(C(C)NCC)cc1Br.
What is the InChIKey of 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline?
The InChIKey is MLHNCMWIICHXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-7-8-11-19(4)16-10-9-14(12-15(16)17)13(3)18-6-2/h9-10,12-13,18H,5-8,11H2,1-4H3.
What are the key properties of 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline?
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline has a molecular weight of 327.31 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline is sourced from PubChem (CID 63532676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).