5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline

C16H23BrN2 — CID 82968388

IUPAC5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(Br)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C16H23BrN2/c1-11(18-2)15-8-5-13(17)9-16(15)19(14-6-7-14)10-12-3-4-12/h5,8-9,11-12,14,18H,3-4,6-7,10H2,1-2H3
InChIKeyMUGZOJVINHLYKK-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.11
Rot. Bonds6

About 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline (PubChem CID 82968388) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
PubChem CID82968388
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(Br)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C16H23BrN2/c1-11(18-2)15-8-5-13(17)9-16(15)19(14-6-7-14)10-12-3-4-12/h5,8-9,11-12,14,18H,3-4,6-7,10H2,1-2H3
InChIKeyMUGZOJVINHLYKK-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82967908
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline
CID 64521005
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)aniline
CID 82968663
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 82968919
N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline (CID 82968388) is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(Br)cc1N(CC1CC1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline?
The InChIKey is MUGZOJVINHLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-11(18-2)15-8-5-13(17)9-16(15)19(14-6-7-14)10-12-3-4-12/h5,8-9,11-12,14,18H,3-4,6-7,10H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline?
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline has a molecular weight of 323.28 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 82968388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).