2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline

C16H27BrN2 — CID 63532672

IUPAC2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C(C)NCC)cc1Br
InChIInChI=1S/C16H27BrN2/c1-5-10-19(11-6-2)16-9-8-14(12-15(16)17)13(4)18-7-3/h8-9,12-13,18H,5-7,10-11H2,1-4H3
InChIKeyCOWDWVKFQIRHHQ-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.75
Rot. Bonds8

About 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline

2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline (PubChem CID 63532672) 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,N-dipropylaniline.

Molecular Properties

Compound Name2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
PubChem CID63532672
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C(C)NCC)cc1Br
InChIInChI=1S/C16H27BrN2/c1-5-10-19(11-6-2)16-9-8-14(12-15(16)17)13(4)18-7-3/h8-9,12-13,18H,5-7,10-11H2,1-4H3
InChIKeyCOWDWVKFQIRHHQ-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'}

Analyze 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-ethyl-4-[1-(methylamino)ethyl]-N-propylaniline
CID 55133038
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
CID 63532676
2-bromo-N-(2-ethoxyethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63697741
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 62912192
2-bromo-N-propan-2-yl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 63533861
2-bromo-N-butan-2-yl-4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)aniline
CID 62912370
2-bromo-4-[1-(ethylamino)ethyl]phenol
CID 62910509
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
CID 63533725
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62909357
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62912215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline?
The IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline (CID 63532672) is 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline.
What is the SMILES notation for 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline?
The canonical SMILES for 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline is CCCN(CCC)c1ccc(C(C)NCC)cc1Br.
What is the InChIKey of 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline?
The InChIKey is COWDWVKFQIRHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-10-19(11-6-2)16-9-8-14(12-15(16)17)13(4)18-7-3/h8-9,12-13,18H,5-7,10-11H2,1-4H3.
What are the key properties of 2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline?
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline 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,N-dipropylaniline is sourced from PubChem (CID 63532672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).