5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline

C18H29BrN2 — CID 82955006

IUPAC5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(Br)cc1N(CC)C1CCCC1
InChIInChI=1S/C18H29BrN2/c1-4-12-20-14(3)17-11-10-15(19)13-18(17)21(5-2)16-8-6-7-9-16/h10-11,13-14,16,20H,4-9,12H2,1-3H3
InChIKeyMQDWECZGZPLOCQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP5.28
Rot. Bonds7

About 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline

5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline (PubChem CID 82955006) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
PubChem CID82955006
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(Br)cc1N(CC)C1CCCC1
InChIInChI=1S/C18H29BrN2/c1-4-12-20-14(3)17-11-10-15(19)13-18(17)21(5-2)16-8-6-7-9-16/h10-11,13-14,16,20H,4-9,12H2,1-3H3
InChIKeyMQDWECZGZPLOCQ-UHFFFAOYSA-N
XLogP5.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
CID 82968453
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline (CID 82955006) is 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(Br)cc1N(CC)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline?
The InChIKey is MQDWECZGZPLOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-12-20-14(3)17-11-10-15(19)13-18(17)21(5-2)16-8-6-7-9-16/h10-11,13-14,16,20H,4-9,12H2,1-3H3.
What are the key properties of 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline?
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline has a molecular weight of 353.35 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 82955006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).